215.Jianguo Wu, Haoxiang Xu*, Dong Cao, Daojian Cheng*. Reversible hydrogen spillover induced by Brønsted acid for accelerating direct synthesis of hydrogen peroxide. Journal of Catalysis, 2024-06-29.
https://doi.org/10.1016/j.jcat.2024.115620
214.Yi Gao*, Daojian Cheng*, Zhigang Wang*. Introduction to nanoclusters: from theory to application. Nanoscale Advances, 2024-06-10.
https://doi.org/10.1039/D4NA90062F
213.Jiade Qiu, Xiaomei Tian, Hongjun Yuan, Junyang Cao, Xin Chen, Xin Li, Dengfeng Wu*, Daojian Cheng, Xianren Zhang*, Fengyong Liu*. Computational study of haemodynamic change induced by the resuscitative endovascular balloon aortic occlusion. Molecular Simulation, 2024-05-21.
https://doi.org/10.1080/08927022.2024.2352509
212.Jugang Ma, Xiaohong Zhu, Yangyang Li, Xintao Deng, Jian Dang, Dong Cao, Huimin Zhang, Shaojie Du, Junyu Zhang*, Fuyuan Yang*, Daojian Cheng*, Minggao Ouyang. Highly durable Pt@fNi(OH)2-Ni cathode prepared by in situ electrodeposition method for alkaline water electrolysis. Electrochimica Acta, 2024-05-17.
https://doi.org/10.1016/j.electacta.2024.144454
211.Jiamei Wei, Siqi Xiong, Yue Ma, Dong Cao*, Daojian Cheng*. Constructing Co@C nanoparticles with chainmail-structure for highly efficient hydroformylation of 1-hexene. Chemical Engineering Journal, 2024-05-05.
https://doi.org/10.1016/j.cej.2024.151963
210.Jiayi Wang, Haoxiang Xu, Yihao Zhang, Jianguo Wu, Haowen Ma, Xuecheng Zhan, Jiqin Zhu, Daojian Cheng*. Discovery of alloy catalysts beyond Pd for selective hydrogenation of reformate via first-principle screening with consideration of H-coverage. Angewandte Chemie International Edition, 2024-04-22.
https://doi.org/10.1002/anie.202317592
209.Jin Liu, Jiqin Zhu, Haoxiang Xu*, Daojian Cheng*. Rational design of heteroatom-doped Fe-N-C single-atom catalysts for oxygen reduction reaction via simple descriptor. ACS Catalysis, 2024-04-18.
https://doi.org/10.1021/acscatal.4c01377
208.Wei Xia, Mengyao Ma, Zhenhao Li, Liang Qiao, Kebin Chi, Xiaoyan Guo, Tianpeng Liu, Dengfeng Wu, Dong Cao*, Daojian Cheng*. Fabricating highly active Pt atomically dispersed catalysts with the co-existence of Pt-O1Ni1 single atoms and Pt sub-nanoclusters for improved hydrogen evolution. Applied Catalysis B: Environment and Energy, 2024-04-14.
https://doi.org/10.1016/j.apcatb.2024.124074
207.Xiaoyan Guo, Huimin Zhang, Wei Xia, Mengyao Ma, Dong Cao*, Daojian Cheng*. Constructing Ag single atoms and nanoparticles Co‐decorated CoO(O)H as highly active electrocatalyst for oxygen evolution reaction under large current density. Advanced Functional Materials, 2024-04-04.
https://doi.org/10.1002/adfm.202316539
206.Jin Liu, Yihao Zhang, Jiamei Wei, Jiqin Zhu, Haoxiang Xu, Daojian Cheng*. Rational design of Pd-based alloys for 1,3-butadiene selective hydrogenation via equilibrium models of nanoparticles. ACS Catalysis, 2024-04-03.
https://doi.org/10.1021/acscatal.4c01076
205.Yang Nan, Tianpeng Liu, Wenhao Liu, Dong Cao*, Daojian Cheng*. Constructing chainmail-structured CoP/C nanospheres as highly active anodic electrocatalysts for oxygen evolution reaction. ACS Applied Materials & Interfaces, 2024-03-20.
https://doi.org/10.1021/acsami.4c01132
204.Jianguo Wu, Dingding Jin, Xingtao Ren, Dong Cao, Kai Wu, Haoxiang Xu*, Daojian Cheng*. Copper-induced formation of lewis acid sites enhancing sulfated zirconia catalyzed i-butane normalization. Journal of Catalysis, 2024-03-20.
https://doi.org/10.1016/j.jcat.2024.115400
203.Haoxiang Xu, Daojian Cheng*, Dapeng Cao*, Xiaocheng Zeng*. Revisiting the universal principle for the rational design of single-atom electrocatalysts. Nature Catalysis, 2024-02-27.
https://doi.org/10.1038/s41929-023-01106-z
202.Xin Li, Jianguo Wu, Dong Cao*, Daojian Cheng*. Construction of Pt3Sn1 alloy catalyst with high activity for selective hydrogenation of 5-hydroxymethylfurfural. Industrial & Engineering Chemistry Research, 2024-02-21.
https://doi.org/10.1021/acs.iecr.3c04183
201.Xiaoyu Huang, Haoxiang Xu*, Jiqin Zhu, Daojian Cheng*. Understanding oxygen reduction reaction activity of Pt-based nanoparticles from Pt atomic layers to Pt single atom alloy. Journal of Catalysis, 2024-02-13.
https://doi.org/10.1016/j.jcat.2024.115367
200.Zuran Yu, Lin Zhu, Haoxiang Xu*, Daojian Cheng*. Selective enhancement of ethylene epoxidation via directing reaction pathways over Ag single-atom catalyst. Industrial & Engineering Chemistry Research, 2024-02-08.
https://doi.org/10.1021/acs.iecr.3c04600
199.Xin Li, Jiaqi Liu, Jianguo Wu, Lipeng Zhang, Dong Cao*, Daojian Cheng*. Constructing a highly active Pd atomically dispersed catalyst for cinnamaldehyde hydrogenation: Synergistic catalysis between Pd-N3 single atoms and fully exposed Pd clusters. ACS Catalysis, 2024-01-31.
https://doi.org/10.1021/acscatal.3c05883
198.Jianguo Wu, Xin Li, Kun Fu, Dong Cao*, Daojian Cheng*. Constructing fully exposed Pt atomically dispersed catalysts for enhanced multifunctional selective hydrogenation reactions. Chemical Engineering Journal, 2024-01-12.
https://doi.org/10.1016/j.cej.2024.148706
197.Jiayi Wang, Haoxiang Xu, Jianguo Wu, Fengyu Zhang, Chunxia Che, Jiqin Zhu, Junting Feng, Daojian Cheng*. Rational Design of alloy catalysts for alkyne semihydrogenation via descriptor-based high-throughput screening. ACS Catalysis, 2024-01-09.
https://doi.org/10.1021/acscatal.3c02398
196.Huimin Zhang, Kai Li, Xiaoyan Guo, Lipeng Zhang, Dong Cao, Daojian Cheng*. Rational regulation of the defect density in platinum nanocrystals for highly efficient hydrogen evolution reaction. Small, 2023-12-03.
https://doi.org/10.1002/smll.202306694
195.Haoxiang Xu, Kai Li, Ning Liu, Wei Xia, Wenhao Liu, Dong Cao, Lipeng Zhang, Daojian Cheng*. Understanding activity diversity among Ni-based chalcogenide pre-catalysts under oxygen evolution conditions: the role of oxyanions. Catalysis Science & Technology, 2023-10-31.
https://doi.org/10.1039/d3cy00789h
194.Jin Liu, Haoxiang Xu, Jiqin Zhu, Daojian Cheng*. Understanding the pathway switch of the oxygen reduction reaction from single- to double-/triple-atom catalysts: A dual channel for electron acceptance−backdonation. JACS Au, 2023-10-21.
https://doi.org/10.1021/jacsau.3c00432
193.Dingding Jin, Haoxiang Xu, Jiqin Zhu*, Daojian Cheng*. Activation of Cr2O3 for propane dehydrogenation by doping with Pt single-atom promotor. Molecular Catalysis, 2023-10-20.
https://doi.org/10.1016/j.mcat.2023.113624
192.Wei Xia, Mengyao Ma, Xiaoyan Guo, Daojian Cheng, Dengfeng Wu*, Dong Cao*. Fabricating Ru atom-doped novel FeP4/Fe2PO5 heterogeneous interface for overall water splitting in alkaline environment. ACS Applied Materials & Interfaces, 2023-09-15.
https://doi.org/10.1021/acsami.3c07326
191.Mengyao Ma, Wei Xia, Xiaoyan Guo, Wenhao Liu, Dong Cao*, Daojian Cheng*. Constructing Ni3Se2-nanoisland-confined Pt1Mo1 dual-atom catalyst for efficient hydrogen evolution in basic media. Small Structures, 2023-09-13.
https://doi.org/10.1002/sstr.202300284
190.Yongde Long, Jinguo Lin, Fenghui Ye, Wei Liu, Dan Wang, Qingqing Cheng, Rajib Paul, Daojian Cheng, Baoguang Mao*, Riqing Yan, Linjie Zhao, Dong Liu, Feng Liu*, Chuangang Hu*. Tailoring the atomic-local environment of carbon nanotube tips for selective H2O2 electrosynthesis at high current densities. Advanced materials, 2023-08-03.
https://doi.org/10.1002/adma.202303905
189.Jiamei Wei, Shen Wang, Jianguo Wu, Dong Cao*, Daojian Cheng*. Progress and perspectives of Pd-based catalysts for direct synthesis of hydrogen peroxide. Industrial Chemistry & Materials, 2023-07-20.
https://doi.org/10.1039/d3im00054k
188.Zhuoran Deng, Liqiang Zhao, Daojian Cheng*. High-throughput synthesis of size-controlled Pt-based catalysts. Particuology, 2023-06-15.
https://doi.org/10.1016/j.partic.2023.06.001
187.Mengyao Ma, Wei Xia, Wenhao Liu, Xiaoyan Guo, Dong Cao*, Daojian Cheng*. Constructing NiMoP nanorod arrays with a highly active Ni2P/NiMoP2 interface for hydrogen evolution in 0.5 M H2SO4 and 1.0 M KOH media. Materials Chemistry Frontiers, 2023-06-14.
https://doi.org/10.1039/d3qm00363a
186.Meng Guo, Peijie Ma, Lu Wei, Jiayi Wang, Zhiwei Wang, Kun Zheng, Daojian Cheng, Yuxi Liu, Hongxing Dai, Guangsheng Guo, Erhong Duan, Jiguang Deng*. Highly selective activation of C-H bond and inhibition of C-C bond cleavage by tuning strong oxidative Pd sites. Journal of the American Chemical Society, 2023-05-16.
https://doi.org/10.1021/jacs.3c00747
185.Haowen Ma, Jiayi Wang, Xuecheng Zhan, Yuan Xie, Limin Sun, Xiaoli Hu, Haoxiang Xu, Daojian Cheng*. Identification of PdPt alloys for preferential C6 olefin hydrogenation over aromatic hydrocarbons through density functional theory and microkinetic modeling. Chemical Communications, 2023-05-09.
https://doi.org/10.1039/d3cc01856c
184.Dong Cao, Jie Shao, Yahui Cui, Lipeng Zhang, Daojian Cheng*. Interfacial Engineering of Copper–Nickel Selenide Nanodendrites for Enhanced Overall Water Splitting in Alkali Condition. Small, 2023-03-26.
https://doi.org/10.1002/smll.202301613
183.Dong Cao, Xiaoyu Huang, Huimin Zhang, Wenhao Liu, Daojian Cheng*. Constructing porous RuCu nanotubes with highly efficient alloy phase for water splitting in different pH conditions. Chemical Engineering Journal, 2022-12-24.
https://doi.org/10.1016/j.cej.2022.141148
182.Jiayi Wang, Haoxiang Xu, Chunxia Che, Jiqin Zhu, Daojian Cheng*. Rational design of PdAg catalysts for acetylene selective hydrogenation via structural descriptor-based screening strategy. ACS Catalysis, 2022-12-19.
https://doi.org/10.1021/acscatal.2c05498
181.Dong Cao, Zhirong Zhang, Yahui Cui, Runhao Zhang, Lipeng Zhang, Jie Zeng*, Daojian Cheng*. One-Step approach for constructing high-density single-atom catalysts toward overall water splitting at industrial current densities. Angewandte Chemie International Edition, 2022-12-09.
https://doi.org/10.1002/anie.202214259
180.Zhuangzhuang Qiao, Kai Zhang, Jin Liu, Daojian Cheng, Bingran Yu, Nana Zhao*, Fujian Xu*. Biomimetic electrodynamic nanoparticles comprising ginger-derived extracellular vesicles for synergistic anti-infective therapy. Nature Communications, 2022-11-22.
https://doi.org/10.1038/s41467-022-34883-5
179.Zhuoran Deng, Liqiang Zhao, Daojian Cheng*. A high-throughput catalyst synthesis system for Ag-based catalysts. Review of Scientific Instruments, 2022-11-10.
https://doi.org/10.1063/5.0104325
178.Xiaopei Xu, Zhipeng Peng, Haoxiang Xu*, Daojian Cheng*. Computational screening of nonmetal dopants to active MoS2 basalplane for hydrogen evolution reaction via structural descriptor. Journal of Catalysis, 2022-10-31.
https://doi.org/10.1016/j.jcat.2022.10.011
177.Dong Cao, Haoxiang Xu, Hongliang Li, Chen Feng, Jie Zeng*, Daojian Cheng*. Volcano-type relationship between oxidation states and catalytic activity of single-atom catalysts towards hydrogen evolution. Nature Communication, 2022-10-04.
https://doi.org/10.1038/s41467-022-33589-y
176.Xuning Wang, Haoxiang Xu*, Yibin Luo, Daojian Cheng*. High selective direct synthesis of H2O2 over Pd1@γ-Al2O3 single-atom catalyst. ChemCatChem, 2022-09-22.
https://doi.org/10.1002/cctc.202200853
175.Jingjing Yan, Haoxiang Xu, Le Chang, Aijun Lin*, Daojian Cheng*. Revealing the pH-dependent mechanism of nitrate electrochemical reduction to ammonia on single-atom catalysts. Nanoscale, 2022-09-19.
https://doi.org/10.1039/D2NR02545K
174.Wenhao Liu, Huimin Zhang, Mengyao Ma, Dong Cao*, Daojian Cheng*. Constructing a highly active amorphous WO3/Crystalline CoP interface for enhanced hydrogen evolution at different pH values. ACS Applied Energy Materials, 2022-09-15.
https://doi.org/10.1021/acsaem.2c01489
173.Huimin Zhang, Xiaoyan Guo, Wenhao Liu, Dengfeng Wu*, Dong Cao*, Daojian Cheng. Regulating surface composition of platinum-copper nanotubes for enhanced hydrogen evolution reaction in all pH values. Journal of Colloid and Interface Science, 2022-08-27.
https://doi.org/10.1016/j.jcis.2022.08.116
172.Meijia Zhang, Haoxiang Xu, Yibin Luo, Jiqin Zhu*, Daojian Cheng*. Enhancing the catalytic performance of PdAu catalysts by W-induced strong interaction for the direct synthesis of H2O2. Catalysis Science & Technology, 2022-07-26.
https://pubs.rsc.org/en/content/articlelanding/2022/CY/D2CY00112H
171.Hui Xu, Haoxiang Xu*, Daojian Cheng*. Resolving the reaction mechanism for oxidative hydration of ethylene toward ethylene glycol by titanosilicate catalysts. ACS Catalysis, 2022-07-20.
https://doi.org/10.1021/acscatal.2c01160
170.Nick Quirke*, Daojian Cheng*, Feng Huo*. Frontiers of multiscale modeling and simulation. Molecular Simulation, 2022-07-06.
https://doi.org/10.1080/08927022.2022.2086342
169.Feipeng Cheng, Jihao Cheng, Yang Nan, Yuan Xie, Tongqian Yang, Daojian Cheng, Jiqin Zhu*, Haoxiang Xu*. Enhancing oxidative hydration of ethylene towards ethylene glycol over metal-modified titanosilicate catalysts. Applied Catalysis A: General, 2022-06-28.
https://doi.org/10.1016/j.apcata.2022.118752
168.Jindong Sun, Haoxiang Xu*, Haowen Ma, Xuecheng Zhan, Jiqin Zhu, Daojian Cheng*. Isoprene selective hydrogenation using AgCu-promoted Pd nanoalloys. Faraday Discussions, 2022-06-24.
https://doi.org/10.1039/d2fd00074a
167.Huimin Zhang, Wenhao Liu, Dong Cao*, Daojian Cheng*. Carbon-based material-supported single-atom catalysts for energy conversion. iScience, 2022-05-06.
https://doi.org/10.1016/j.isci.2022.104367
166.Meng Guo, Peijie Ma, Jiayi Wang, Haoxiang Xu, Kun Zheng, Daojian Cheng, Yuxi Liu, Guangsheng Guo, Hongxing Dai, Erhong Duan, Jiguang Deng*. Synergy in Au-CuO janus structure for catalytic isopropanol oxidative dehydrogenation to acetone. Angewandte Chemie International Edition, 2022-04-13.
https://doi.org/10.1002/anie.202203827
165.Ning Liu, Dong Cao, Wenhao Liu, Huimin Zhang, Yinhai Zhu, Le Chang, Dengfeng Wu*, Daojian Cheng*. Constructing La-doped ultrathin Co-based nanostructured electrocatalysts for high-performance water oxidation process. International Journal of Hydrogen Energy, 2022-03-31.
https://doi.org/10.1016/j.ijhydene.2022.02.167
164.Yun Liu*, Xiaopan Jiao, Fuli Zhang, Daojian Cheng, Wensheng Qin. Efficient and selective oxidation of furfural into high-value chemicals by cobalt and nitrogen co-doped carbon. The Canasian Journal of Chemical Engineering, 2022-01-22.
https://doi.org/10.1002/cjce.24376
163.Meijia Zhang, Yibin Luo, Dengfeng Wu, Qian Li, Haoxiang Xu*, Daojian Cheng*. Promoter role of tungsten in W-Pd/Al2O3 catalyst for direct synthesis of H2O2: Modification of Pd/PdO ratio. Applied Catalysis A: General, 2021-10-13.
https://doi.org/10.1016/j.apcata.2021.118392
162.Zhuoran Deng, Yingcheng Zhou, Liqiang Zhao, Daojian Cheng*. Structures and structural evolution of MN (M = Pt, Ag, Au, N=2-20) from combined revised particle swarm optimization and density function theory. Molecular Simulation, 2021-09-14.
https://doi.org/10.1080/08927022.2021.1974431
161.Dong Cao, Haoxiang Xu, Daojian Cheng*. Branch-leaf-shaped CuNi@NiFeCu nanodendrites as highly efficient electrocatalysts for overall water splitting. Applied Catalysis B: Environmental, 2021-08-08.
https://doi.org/10.1016/j.apcatb.2021.120600
160.Dong Cao, Jiayi Wang, Haoxiang Xu, Daojian Cheng*. Construction of dual-site atomically dispersed electrocatalysts with Ru-C5 single atoms and Ru-O4 nanoclusters for accelerated alkali hydrogen evolution. Small, 2021-07-02.
https://doi.org/10.1002/smll.202101163
159.Yinhai Zhu, Dong Cao, Ning Liu, Daojian Cheng*. One-step synthesis of atomic Ru doped ultra-thin Co(OH)2 nanosheets for oxygen evolution reaction in different pH values. International Journal of Hydrogen Energy, 2021-05-08.
https://doi.org/10.1016/j.ijhydene.2021.04.088
158.Fei Xiao, Xiang Liu, Chengjun Sun, Inhui Hwang, Qi Wang, Zhiwen Xu, Yian Wang, Shangqian Zhu, Hsi-Wen Wu, Zidong Wei, Liping Zheng, Daojian Cheng, Meng Gu, Guiliang Xu*, Khalil Amine*, Minhua Shao*. Solid-State synthesis of highly dispersed nitrogen-coordinated single iron atom electrocatalysts for proton exchange membrane fuel cells. Nano Letters, 2021-04-19.
https://doi.org/10.1021/acs.nanolett.1c00702
157.Zuran Yu, Haoxiang Xu*, Daojian Cheng*. Design of single atom catalysts. Advances in Physics: X, 2021-04-11.
https://doi.org/10.1080/23746149.2021.1905545
156.Haoxiang Xu, Lin Zhu, Yang Nan, Yuan Xie, Daojian Cheng*. Revisit the role of metal dopants in enhancing the selectivity of Ag-Catalyzed ethylene epoxidation: Optimizing oxophilicity of reaction site via cocatalytic mechanism. ACS Catalysis, 2021-03-02.
https://doi.org/10.1021/acscatal.0c04951
155.Dong Cao, Jiayi Wang, Huimin Zhang, Haoxiang Xu*, Daojian Cheng*. Growth of IrCu nanoislands with rich IrCu/Ir interfaces enables highly efficient overall water splitting in non-acidic electrolytes. Chemical Engineering Journal, 2021-02-25.
https://doi.org/10.1016/j.cej.2021.129128
154.Wenhao Liu, Dong Cao, Daojian Cheng*. Review on synthesis and catalytic coupling mechanism of highly active electrocatalysts for water splitting. Energy Technology, 2020-12-22.
https://doi.org/10.1002/ente.202000855
153.Jin Liu, Dong Cao, Hoaxing Xu, Daojian Cheng*. From double‐atom catalysts to single‐cluster catalysts: A new frontier in heterogeneous catalysis. Nano Select, 2020-12-02.
https://doi.org/10.1002/nano.202000155
152.Xiaopei Xu, Haoxiang Xu*, Daojian Cheng*. Identification of the anti-triangular etched MoS2 with comparative activity with commercial Pt for hydrogen evolution reaction. International Journal of Hydrogen Energy, 2020-11-19.
https://doi.org/10.1016/j.ijhydene.2020.09.071
151.Haowen Ma, Xiaopei Xu, Haoxiang Xu*, Huixia Feng*, Yuan Xie, Daojian Cheng*. Understanding composition-dependent catalytic performance of PdAg for the hydrogenation of 1,3-butadiene to 1-butene. Catalysis Communications, 2020-11-26.
https://doi.org/10.1016/j.catcom.2020.106255
150.Liu Yang, Haoxiang Xu, Huibing Liu 1, Xiaofei Zeng 1, Daojian Cheng, Yan Huang, Lirong Zheng, Rui Cao, Dapeng Cao*. Oxygen-Reconstituted active species of single-atom Cu catalysts for oxygen reduction reaction. Research, 2020-10-05.
https://doi.org/10.34133/2020/7593023
149.Xingkai Huang, Haoxiang Xu, Dong Cao, Daojian Cheng*. Interface construction of P-Substituted MoS2 as efficient and robust electrocatalyst for alkaline hydrogen evolution reaction. Nano Energy, 2020-08-23.
https://www.sciencedirect.com/science/article/pii/S2211285520308314
148.Dong Cao, Jiayi Wang, Haoxiang Xu, Daojian Cheng*. Growth of highly active amorphous RuCu nanosheets on Cu nanotubes for the hydrogen evolution reaction in wide pH values. Small, 2020-08-16.
https://doi.org/10.1002/smll.202000924
147.Haoxiang Xu, Daojian Cheng*. First-principles-aided Thermodynamic modeling of transition-metal heterogeneous catalysts: A review. Green Energy & Environment, 2020-07-14.
https://www.sciencedirect.com/science/article/pii/S2468025720301060
146.Dengfeng Wu, Wei Zhang, Aijun Lin*, Daojian Cheng*. Low Pt-Content ternary PtNiCu nanoparticles with hollow interiors and accessible surfaces as enhanced multifunctional electrocatalysts. ACS Applied Materials & Interfaces, 2020-02-14.
https://doi.org/10.1021/acsami.9b20076
145.Wei Zhang, Jiqin Zhu*, Daojian Cheng*, XiaoCheng Zeng*. PtCoNi alloy nanoclusters for synergistic catalytic oxygen reduction reaction. ACS Applied Nano Materials, 2020-02-13.
https://doi.org/10.1021/acsanm.9b02604
144.Yingcheng Zhou, Zheng Zhao, Daojian Cheng*. Cluster structure prediction via revised particle-swarm optimization algorithm. Computer Physics Communications, 2020-02-01.
https://doi.org/10.1016/j.cpc.2019.107076
143.Dong Cao, Haoxiang Xu, Daojian Cheng*. Construction of defect-rich RhCu nanotubes with highly active Rh3Cu1 alloy phase for overall water splitting in all pH values. Advanced Energy Materials, 2020-01-30.
https://doi.org/10.1002/aenm.201903038
142.Dengfeng Wu, Yang Yang, Changqing Dai, Daojian Cheng*. Enhanced oxygen reduction activity of PtCu nanoparticles by morphology tuning and transition-metal doping. International Journal of Hydrogen Energy, 2019-12-30.
https://doi.org/10.1016/j.ijhydene.2019.11.110
141.Chunxia Che, Haoxiang Xu*, He Wen, Galian Gou, Daojian Cheng*. Theoretical Study on the Structural, Thermal and Phase Stability of Pt-Cu Alloy Clusters. Journal of Cluster Science, 2019-12-24.
https://doi.org/10.1007/s10876-019-01753-y
140.Zheng Zhao, Haoxiang Xu, Zongyu Feng*, Yongqi Zhang, Meisheng Cui, Dapeng Cao, Daojian Cheng*. Design of high-performance co-based alloy nanocatalysts for the oxygen reduction reaction. Chemistry-A European Journal, 2019-12-03.
https://doi.org/10.1002/chem.201904431
139.Xingkai Huang, Xiaopei Xu, Xiaoxu Luan, Daojian Cheng*. CoP nanowires coupled with CoMoP nanosheets as a highly efficient cooperative catalyst for hydrogen evolution reaction. Nano Energy, 2019-11-30.
https://doi.org/10.1016/j.nanoen.2019.104378
138.Junmeng Zhang, Xiaopei Xu, Liu Yang, Daojian Cheng*, Dapeng Cao*. Single‐Atom Ru doping induced phase transition of MoS2 and S vacancy for hydrogen evolution reaction. Small Methods, 2019-11-11.
https://doi.org/10.1002/smtd.201900653
137.Haoxiang Xu, Lin Zhu, Yang Nan, Yuan Xie, Daojian Cheng*. Revisit the Role of Chlorine in Selectivity Enhancement of Ethylene Epoxidation. Industrial & Engineering Chemistry Research, 2019-11-07.
https://doi.org/10.1021/acs.iecr.9b04993
136.Linxin Li, Zhihui Xie*, Carlos Fernandez, Liang Wu, Daojian Cheng, Xiaohui Jiang, Chuanjian Zhong. Development of a thiophene derivative modified LDH coating for Mg alloy corrosion protection. Electrochimica Acta, 2019-11-03.
https://doi.org/10.1016/j.electacta.2019.135476
135.Dengfeng Wu, Daojian Cheng*. Structure-controlled synthesis of one-dimensional PdCu nanoscatalysts via a seed-mediated approach for oxygen reduction reaction. Applied Surface Science, 2019-11-01.
https://doi.org/10.1016/j.apsusc.2019.144274
134.Xiaopei Xu, Haoxiang Xu*, Daojian Cheng*. Design of high-performance MoS2 edge supported single-metal atom bifunctional catalysts for overall water splitting via a simple equation. Nanoscale, 2019-09-26.
https://doi.org/10.1039/C9NR06083A
133.Xiaoyu Huang, Yang Yang, Daojian Cheng*. Hydrogen generation from formic acid decomposition on Pd-Cu nanoalloys. International Journal of Hydrogen Energy, 2019-08-14.
https://doi.org/10.1016/j.ijhydene.2019.07.098
132.Haoxiang Xu, Lin Zhu, Yang Nan, Yuan Xie, Jiqin Zhu, Alessandro Fortunelli*, Daojian Cheng*. Selectivity-Driven design of the Ag-Cu alloys for the ethylene epoxidation. Industrial & Engineering Chemistry Research, 2019-07-11.
https://doi.org/10.1021/acs.iecr.9b01542
131.Wei Zhang, David L. Deibert, Daojian Cheng*, Xiao Cheng Zeng*. Magnetism in bimetallic PtxNiN-x clusters via cross-atomic coupling. Journal of Materials Chemistry C, 2019-06-24.
https://doi.org/10.1039/C8TC05958F
130.Haowen Ma, Yang Yang, Huixia Feng*, Daojian Cheng*. DFT study of pyrolysis gasoline hydrogenation on Pd(100), Pd(110) and Pd(111). Surfaces. Catalysis Letters, 2019-05-10.
https://doi.org/10.1007/s10562-019-02780-0
129.Lin Zhu, Haoxiang Xu, Yang Nan, Yuan Xie, Jiqin Zhu*, Daojian Cheng*. The synergistic effect between crystal planes and promoters on Ag-catalyzed ethylene epoxidation. Applied Surface Science, 2019-05-01.
https://doi.org/10.1016/j.apsusc.2019.01.019
128.Xingkai Huang, Xiaopei Xu, Chao Li, Dengfeng Wu, Daojian Cheng*, Dapeng Cao*. Vertical CoP Nanoarray Wrapped by N,P‐Doped Carbon for Hydrogen Evolution Reaction in Both Acidic and Alkaline Conditions. Advanced Energy Materials, 2019-04-24.
https://doi.org/10.1002/aenm.201803970
127.Kamal Elouarzaki*, Yian Wang, Vishvak Kannan, Haoxiang Xu, Daojian Cheng*, Jong-Min Lee, Adriann Fisher. Hydrogenase-Like electrocatalytic activation and inactivation mechanism by three-dimensional binderless molecular catalyst. ACS Applied Energy Materials, 2019-04-09.
https://doi.org/10.1021/acsaem.9b00203
126.Liu Yang, Haoxiang Xu, Huibing Liu, Daojian Cheng*, Dapeng Cao*. Active site identification and evaluation criteria of in situ grown CoTe and NiTe nanoarrays for hydrogen evolution and oxygen evolution reactions. Small Methods, 2019-03-20.
https://doi.org/10.1002/smtd.201900113
125.Chenxi Yang, Guoqing Wang*, Aimin Liang*, Yi Yue, Hui Peng, Daojian Cheng. Understanding the role of Au in the selective hydrogenation of acetylene on trimetallic PdAgAu catalytic surface. Catalysis Communications, 2019-02-26.
https://doi.org/10.1016/j.catcom.2019.01.012
124.Zheng Zhao, Kewei Kong, Shixian Wang, Yingcheng Zhou, Daojian Cheng*, Wenchuan Wang, Xiao Cheng Zeng*, Hui Li*. Understanding hygroscopic nucleation of sulfate aerosols: combination of molecular dynamics simulation with classical nucleation theory. The Journal of Physical Chemistry Letters, 2019-02-25.
https://doi.org/10.1021/acs.jpclett.9b00152
123.Pengcheng Li, Dengfeng Wu, Changqing Dai, Xingkai Huang, Chao Li, Zhen Yin, Song Zhou, Zhengang Lv, Daojian Cheng*, Jiqin Zhu*, Jian Xu, Xi Liu*. Controlled synthesis of copper-doped molybdenum carbide catalyst with enhanced activity and stability for hydrogen evolution reaction. Catalysis Letters, 2019-02-25.
https://doi.org/10.1007/s10562-019-02695-w
122.Mengjie Yang, Dengfeng Wu, Daojian Cheng*. Biomass-derived porous carbon supported Co CoO yolk-shell nanoparticles as enhanced multifunctional electrocatalysts. International Journal of Hydrogen Energy, 2019-02-10.
https://doi.org/10.1016/j.ijhydene.2018.11.135
121.Yanlong Lv, Lin Zhu, Haoxiang Xu, Liu Yang, Zhiping Liu*. Xiaohua Cao,Jimmy Yun, Dapeng Cao*, Core/shell template-derived Co, N-doped carbon bifunctional electrocatalysts for rechargeable Zn-air battery. Engineered Science, 2019-01-28.
http://www.espublisher.com/journals/articledetails/140/
120.Yang Yang, Zheng Zhao, Jiqin Zhu*, Daojian Cheng*. Effect of size and composition on the structural stability of Pt-Ni nanoalloys. Journal of Cluster Science, 2019-01-14.
https://doi.org/10.1007/s10876-019-01502-1
119.Yang Nan, Yinuo Wang, Dong Cao, Yang Yang, Daojian Cheng*. Adsorption and dissociation of borohydride on different Ir-Ni alloy surfaces. Applied Surface Science, 2019-01-01.
https://doi.org/10.1016/j.apsusc.2018.10.090
118.Zheng Zhao, Haoxiang Xu, Yi Gao*, Daojian Cheng*. Universal description of heating-induced reshaping preference of core-shell bimetallic nanoparticles. Nanoscale, 2018-12-11.
https://doi.org/10.1039/C8NR08889F
117.Yang Yang, Haoxiang Xu, Dapeng Cao*, Xiao Cheng Zeng*, Daojian Cheng*. Hydrogen production via efficient formic acid decomposition: engineering the surface structure of Pd-based alloy catalysts by design. ACS Catalysis, 2018-12-07.
https://doi.org/10.1021/acscatal.8b03485
116.Lin Zhu, Haoxiang Xu, Yang Nan, Jiqin Zhu*, Daojian Cheng*. Facet-dependent diffusion of atomic oxygen on Ag surfaces. Computational Materials Science, 2018-12-01.
https://doi.org/10.1016/j.commatsci.2018.10.033
115.Haoxiang Xu, Daojian Cheng*, Yi Gao*, XiaoCheng Zeng*. Assessment of catalytic activities of gold nanoclusters with simple structure descriptors. ACS Catalysis, 2018-09-11.
https://doi.org/10.1021/acscatal.8b02423
114.Xiaojun Lian, Mang Niu, Yan Huang*, Daojian Cheng*. MoS2-CdS heterojunction with enhanced photocatalytic activity: A first principles study. Journal of Physics and Chemistry of Solids, 2018-09-01.
https://doi.org/10.1016/j.jpcs.2018.04.020
113.Le Chang*, Daojian Cheng*, Luca Sementa*, Alessandro Fortunelli*. Hydrogen evolution reaction (HER) on Au@Ag ultrananoclusters as electro-catalysts. Nanoscale, 2018-08-22.
https://doi.org/10.1039/C8NR06105J
112.Yang Yang, Changqing Dai, Dengfeng Wu, Zhiping Liu*, Daojian Cheng*. The effect of size on oxygen reduction reaction activity of PdCu bimetallic nanoparticles. ChemElectroChem, 2018-07-23.
https://doi.org/10.1002/celc.201800332
111.Yichao Huang, Jun Hu, Haoxiang Xu, Wei Bian, Jingxuan Ge, Dejin Zang, Daojian Cheng*, Yaokang Lv, Cheng Zhang*, Jing Gu*, Yongge Wei. Fine Tuning Electronic Structure of Catalysts through Atomic Engineering for Enhanced Hydrogen Evolution. Advanced Energy Materials, 2018-06-28.
https://doi.org/10.1002/aenm.201800789
110.Liu Yang, Daojian Cheng, Haoxiang Xu, Xiaofei Zeng, Xin Wan, Jianglan Shui, Zhonghua Xiang, Dapeng Cao*. Unveiling the high-activity origin of single-atom iron catalysts for oxygen reduction reaction. Proceedings of the National Academy of Sciences of the United States, 2018-06-26.
http://dx.doi.org/10.1073/pnas.1800771115
109.Yang Yang, Haiyan Yu, Yushun Cai, Riccardo Ferrando, Daojian Cheng*. Origin of enhanced stability and oxygen adsorption capacity of medium-sized Pt-Ni nanoclusters. Journal of Physics: Condensed Matter, 2018-06-22.
http://iopscience.iop.org/article/10.1088/1361-648X/aaca09/meta
108.Kamal Elouarzaki, Daojian Cheng, Adrian Fisher, Jong-Min Lee*. Coupling orientation and mediation strategies for efficient electron transfer in hybrid biofuel cells. Nature Energy, 2018-06-04.
https://doi.org/10.1038/s41560-018-0166-4
107.Dengfeng Wu, Xing Zhang, Jiqin Zhu, Daojian Cheng*. Concerted catalysis on tanghulu-like Cu@Zeolitic imidazolate framework-8 (ZIF-8) nanowires with tuning catalytic performances for 4-nitrophenol reduction. Engineered Science, 2018-05-28.
http://dx.doi.org/10.30919/es8d718
106.Zegao Wang, Qiang Li, Haoxiang Xu, Christian Dahl-Petersen, Qian Yang, Daojian Cheng, Dapeng Cao, Flemming Besenbacher, Jeppe V. Lauritsen, Stig Helveg, Mingdong Dong*. Controllable etching of MoS2 basal planes for enhanced hydrogen evolution through the formation of active edge sites. Nano Energy, 2018-05-05.
https://doi.org/10.1016/j.nanoen.2018.05.017
105.Haoxiang Xu, Daojian Cheng*, Dapeng Cao*, Xiao Cheng Zeng*. A universal principle for a rational design of single-atom electrocatalysts. Nature Catalysis, 2018-04-30.
https://doi.org/10.1038/s41929-018-0063-z
104.Xuepei Miao*, Daojian Cheng*, Yadong Dai, Yan Meng, Xiaoyu Li*. Origin of modulus improvement for epoxide-terminated hyperbranched Poly(ether sulphone)/DGEBA/TETA systems. Chinese Journal of Polymer Science, 2018-04-13.
http://doi.org/10.1007/s10118-018-2114-y
103.Yan Huang, Dengfeng Wu*, Dapeng Cao, Daojian Cheng*. Facile preparation of biomass-derived bifunctional electrocatalysts for oxygen reduction and evolution reactions. International Journal of Hydrogen Energy, 2018-04-11.
http://doi.org/10.1016/j.ijhydene.2018.03.136
102.Le Chang, Oscar Baseggio, Luca Sementa, Daojian Cheng*, Giovanna Fronzoni, Daniele Toffoli*, Edoardo Aprà*, Mauro Stener*, Aessandro Fortunelli*. Individual component map of rotatory strength and rotatory strength density plots as analysis tools of circular dichroism spectra of complex systems. Journal of Chemical Theory and Computation, 2018-04-11.
https://doi.org/10.1021/acs.jctc.8b00250
101.Haiyan Yu, Liu Yang, Daojian Cheng*, Dapeng Cao. Zeolitic-imidazolate framework (ZIF)@ZnCo-ZIF core-shell template derived Co, N-doped carbon catalysts for oxygen reduction reaction. Engineered Science, 2018-03-23.
http://www.espublisher.com/journals/articledetails/23/
100.Zhenhao Li, Lin Zhu, Jian-Feng Chen, Daojian Cheng*. Enhanced ethylene oxide selectivity by Cu and Re dual-promoted Ag catalysts. Industrial & Engineering Chemistry Research, 2018-03-13.
http://doi.org/10.1021/acs.iecr.7b04291
99.Chenxi Yang, Jian-Feng Chen, Xiaofei Zeng*, Daojian Cheng*. Enhanced photochemical performance of hexagonal WO3 by metal-assisted S-O coupling for solar-driven water splitting. Science China Materials, 2017-11-16.
https://doi.org/10.1007/s40843-017-9126-1
98.Dongmei Ren, Gang Cheng, Jianwei Li*, Jinbing Li, Wujun Dai, XinXin Sun, Daojian Cheng*. Effect of rhenium loading sequence on selectivity of Ag-Cs catalyst for ethylene epoxidation. Catalysis Letters, 2017-10-19.
https://doi.org/10.1007/s10562-017-2211-5
97.Haoxiang Xu, CongQiao Xu*, Daojian Cheng*, Jun Li*. Identification of activity trends for CO oxidation on supported transition-metal single-atom catalysts. Catalysis Science & Technology, 2017-10-06.
https://doi.org/10.1039/C7CY00464H
96.Bailu Yan, Zheng Zhao, Yingcheng Zhou, Wenyan Yuan*, Jian Li, Jun Wu, Daojian Cheng*. A particle swarm optimization algorithm with random learning mechanism and levy flight for optimization of atomic clusters. Computer Physics Communications, 2017-10-01.
https://doi.org/10.1016/j.cpc.2017.05.009
95.Yongsheng Wei, Xingkai Huang, Junyan Wang, Haiyan Yu, Xinsheng Zhao, Daojian Cheng*. Synthesis of bifunctional non-noble monolithic catalyst Co-W-P/carbon cloth for sodium borohydride hydrolysis and reduction of 4-nitrophenol. International Journal of Hydrogen Energy, 2017-09-14.
https://doi.org/10.1016/j.ijhydene.2017.07.222
94.Yang Yang, Weijie Zheng, Daojian Cheng*, Dapeng Cao*. Designing transition metal and nitrogen-codoped SrTiO3(001) perovskite surfaces as efficient photocatalysts for water splitting. Sustainable Energy & Fuels, 2017-08-29.
https://doi.org/10.1039/C7SE00219J
93.Dongmei Ren, Haoxiang Xu, Jianwei Li, Jinbing Li*, Daojian Cheng*. Origin of enhanced ethylene oxide selectivity by Cs-promoted silver catalyst. Molecular Catalysis, 2017-08-17.
https://doi.org/10.1016/j.mcat.2017.08.006
92.Xingkai Huang, Dengfeng Wu, Daojian Cheng*. Porous Co2P nanowires as high efficient bifunctional catalysts for 4-nitrophenol reduction and sodium borohydride hydrolysis. J Colloid Interface Sci, 2017-08-15.
https://doi.org/10.1016/j.jcis.2017.07.059
91.Yang Yang, Changqing Dai, Adrian Fisher, Yanchun Shen*, Daojian Cheng*. A full understanding of oxygen reduction reaction mechanism on Au(1 1 1) surface. Journal of Physics: Condensed Matter, 2017-08-07.
https://doi.org/10.1088/1361-648X/aa7db6
90.Aixian Shan, Chinping Chen*, Wei Zhang, Daojian Cheng*, Xi Shen, Richeng Yu, Rongming Wang. Giant enhancement and anomalous temperature dependence of magnetism in monodispersed NiPt2 nanoparticles. Nano Research, 2017-06-27.
https://doi.org/10.1007/s12274-017-1643-y
89.Xing Zhang, Dengfeng Wu, Daojian Cheng*. Component-dependent electrocatalytic activity of PdCu bimetallic nanoparticles for hydrogen evolution reaction. Electrochimica Acta, 2017-06-15.
https://doi.org/10.1016/j.electacta.2017.06.082
88.Changqing Dai, Yang Yang, Zheng Zhao, Adrian Fisher, Zhiping Liu*, Daojian Cheng*. From mixed to three-layer core/shell PtCu nanoparticles: ligand-induced surface segregation to enhance electrocatalytic activity. Nanoscale, 2017-06-09.
https://doi.org/10.1039/C7NR03123H
87.Zheng Zhao, Fang-Hui Wang, Adrian Fisher, Yanchun Shen*, Daojian Cheng*. Phase stability and segregation behavior of nickel-based nanoalloys based on theory and simulation. Journal of Alloys and Compounds, 2017-06-01.
https://doi.org/10.1016/j.jallcom.2017.05.065
86.Dengfeng Wu, Wei Zhang, Daojian Cheng*. Facile synthesis of Cu/NiCu electrocatalysts integrating alloy, core-shell, and one-dimensional structures for efficient methanol oxidation reaction. ACS Applied Materials & Interfaces, 2017-05-24.
https://doi.org/10.1021/acsami.7b03876
85.Xiaojun Lian, Zheng Zhao, Daojian Cheng*. Recent progress on triphenylamine materials: synthesis, properties, and applications. Molecular Crystals and Liquid Crystals, 2017-05-03.
https://doi.org/10.1080/15421406.2017.1302042
84.Lin Zhu, Wei Zhang, Jiqin Zhu*, Daojian Cheng*. Ni (111)-supported graphene as a potential catalyst for high-efficient CO oxidation. Carbon, 2017-05-01.
https://doi.org/10.1016/j.carbon.2017.03.081
83.Lin Zhu, Wei Zhang, Jiqin Zhu*, Daojian Cheng*. Mechanistic insight into the facet-dependent selectivity of ethylene epoxidation on Ag nanocatalysts. Applied Catalysis A: General, 2017-03-12.
https://doi.org/10.1016/j.apcata.2017.02.020
82.Haoxiang Xu, Daojian Cheng*, Yi Gao. Design of high-performance Pd-Based alloy nanocatalysts for direct synthesis of H2O2. ACS Catalysis, 2017-02-20.
https://doi.org/10.1021/acscatal.6b02871
81.Haiyan Yu, Dapeng Cao, Adrian Fisher, Roy L. Johnston, Daojian Cheng*. Size effect on the adsorption and dissociation of CO2 on Co nanoclusters. Applied Surface Science, 2017-02-01.
https://doi.org/10.1016/j.apsusc.2016.12.126
80.Wei Zhang, Shiyao Shan, Jin Luo, Adrian Fisher, Jian-Feng Chen, Chuan-Jian Zhong*, Jiqin Zhu*, Daojian Cheng*. Origin of enhanced activities for CO oxidation and O2 reaction over composition-optimized Pd50Cu50 nanoalloy catalysts. The Journal of Physical Chemistry C, 2016-12-07.
https://doi.org/10.1021/acs.jpcc.6b10814
79.Daojian Cheng*, Dengfeng Wu, Haoxiang Xu, Adrian Fisher. Composition-controlled Synthesis of PtCuNPs Shells on Copper Nanowires as Electrocatalysts. ChemistrySelect, 2016-09-16.
https://doi.org/10.1002/slct.201600562
78.Dengfeng Wu, Haoxiang Xu, Dapeng Cao, Adrian Fisher, Yi Gao*, Daojian Cheng*. PdCu alloy nanoparticle-decorated copper nanotubes as enhanced electrocatalysts: DFT prediction validated by e. Nanotechnology, 2016-11-09.
https://doi.org/10.1088/0957-4484/27/49/495403
77.Chengcheng Wei, Zheng Zhao, Adrian Fisher, Jiqin Zhu*, Daojian Cheng*. Theoretical study on the structures and thermal properties of Ag-Pt-Ni trimetallic clusters. Journal of Cluster Science, 2016-08-31.
https://doi.org/10.1007/s10876-016-1068-x
76.Changqing Dai, Yang Yang, Adrian Fisher, Zhiping Liu*, Daojian Cheng*. Interaction of CO2 with metal cluster-functionalized ionic liquids. Journal of CO2 Utilization, 2016-08-23.
https://doi.org/10.1016/j.jcou.2016.08.007
75.Haiyan Yu, Adrian Fisher, Daojian Cheng*, Dapeng Cao*. Cu,N-codoped hierarchical porous carbons as electrocatalysts for oxygen reduction reaction. ACS Applied Materials & Interfaces, 2016-08-15.
https://doi.org/10.1021/acsami.6b04189
74.Xinyue Liu, Changqing Dai, Dengfeng Wu, Adrian Fisher, Zhiping Liu*, Daojian Cheng*. Facile synthesis of pdagco trimetallic nanoparticles for formic acid electrochemical oxidation. Chemistry Letters, 2016-07-05.
https://doi.org/10.1246/cl.160243
73.Yang Yang, Changqing Dai, Yanchun Shen*, Adrian Fisher, Daojian Cheng*. Design of binary and ternary platinum shelled electrocatalysts with inexpensive metals for the oxygen reduction reaction. International Journal of Hydrogen Energy, 2016-06-02.
https://doi.org/10.1016/j.ijhydene.2016.03.135
72.Lu Jiang, Wei Zhang, Congguang Luo, Daojian Cheng, Jiqin Zhu*. Adsorption toward trivalent rare earth element from aqueous solution by zeolitic imidazolate frameworks. Industrial & Engineering Chemistry Research, 2016-05-31.
https://doi.org/10.1021/acs.iecr.6b00422
71.Daojian Cheng*. Frontiers of Molecular Simulation in China. Molecular Simulation, 2016-04-13.
https://doi.org/10.1080/08927022.2016.1167443
70.Le Chang, Adrian Fisher, Zhiping Liu*, Daojian Cheng*. A density functional theory study of sulfur adsorption on Ag-Au nanoalloys. Computational and Theoretical Chemistry, 2016-04-11.
https://doi.org/10.1016/j.comptc.2016.02.023
69.Zheng Zhao, Adrian Fisher, Daojian Cheng*. Phase diagram and segregation of Ag-Co nanoalloys: insights from theory and simulation. Nanotechnology, 2016-02-15.
https://doi.org/10.1088/0957-4484/27/11/115702
68.Le Chang, Adrian Fisher, Zhiping Liu*, Daojian Cheng*. Highly sensitive and selective colorimetric detection of sulphide using Ag-Au nanoalloys: a DFT study. RSC Advances, 2016-02-04.
https://doi.org/10.1039/C5RA17361B
67.Zheng Zhao, Adrian Fisher, Yanchun Shen, Daojian Cheng*. Magnetic Properties of Pt-Based Nanoalloys: A Critical Review. Journal of Cluster Science, 2016-01-28.
https://doi.org/10.1007/s10876-016-0983-1
66.Chenxi Yang, Jian-Feng Chen*, Xiaofei Zeng*, Daojian Cheng*. Enhanced near-infrared shielding ability of (Li,K)-codoped WO3 for smart windows: DFT prediction validated by experiment. Nanotechnology, 2016-01-19.
https://doi.org/10.1088/0957-4484/27/7/075203
65.Le Chang, Zhiping Liu*, Daojian Cheng*. Optical properties of Ag-Au nanoclusters for sulphide sensing from TDDFT calculations. Journal of Alloys and Compounds, 2015-12-01.
https://doi.org/10.1016/j.jallcom.2015.09.030
64.Wei Zhang, Rong Cui, Hao Wu, Jiqin Zhu*, Daojian Cheng*. CO oxidation mechanism on a MgO(100) supported PtxAu3-x clusters. Applied Surface Science, 2015-11-01.
https://doi.org/10.1016/j.apsusc.2015.08.081
63.Qian Wang, Yu Fang, Hong Meng, Wei Wu*, Guangwen Chu, Haikui Zou, Daojian Cheng*, Jianfeng Chen. Enhanced simulated sunlight induced photocatalytic activity by pomegranate-like S doped SnO2@TiO2 spheres. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2015-10-01.
https://doi.org/10.1016/j.colsurfa.2015.06.011
62.Dengfeng Wu, Daojian Cheng*. Core/shell AgNi/PtAgNi nanoparticles as methanol-tolerant oxygen reduction electrocatalysts. Electrochimica Acta, 2015-08-28.
https://doi.org/10.1016/j.electacta.2015.08.127
61.Wei Zhang, Aslihan Sumer, Julius Jellinek*, Daojian Cheng*. Morphology tailoring of Pt nanocatalysts for the oxygen reduction reaction: the paradigm of Pt13. ChemNanoMat, 2015-08-17.
https://doi.org/10.1002/cnma.201500107
60.Mang Niu, Huaqiao Tan, Daojian Cheng*, Zaicheng Sun*, Dapeng Cao*. Bandgap engineering of Magneli phase Ti(n)O(2n-1): Electron-hole self-compensation. The Journal of Chemical Physics, 2015-08-07.
https://doi.org/10.1063/1.4928062
59.Dengfeng Wu, Changqing Dai, Shaojie Li, Daojian Cheng*. Shape-controlled synthesis of PdCu nanocrystals for formic acid oxidation. Chemistry Letters, 2015-08-05.
https://doi.org/10.1246/cl.150386
58.Mang Niu, Rong Cui, Hao Wu, Daojian Cheng*, Dapeng Cao*. Enhancement Mechanism of the Conversion Efficiency of Dye-Sensitized Solar Cells Based on Nitrogen-, Fluorine-, and Iodine-Doped TiO2 Photoanodes. The Journal of Physical Chemistry C, 2015-06-05.
http://doi.org/10.1021/acs.jpcc.5b02652
57.Jian Wang, Wenyan Yuan*, Daojian Cheng*. Hybrid genetic-particle swarm algorithm: An efficient method for fast optimization of atomic clusters. Computational and Theoretical Chemistry, 2015-02-26.
https://doi.org/10.1016/j.comptc.2015.02.003
56.Yang Yang, Zheng Zhao, Rong Cui, Hao Wu, Daojian Cheng*. Structures, Thermal Stability, and Chemical Activity of Crown-Jewel-Structured Pd-Pt Nanoalloys. The Journal of Physical Chemistry C, 2014-12-22.
https://doi.org/10.1021/jp5107108
55.Chenxi Yang, Jian-Feng Chen, Xiaofei Zeng, Daojian Cheng*, Dapeng Cao. Design of the Alkali-Metal-Doped WO3 as a near-infrared shielding material for smart window. Industrial & Engineering Chemistry Research, 2014-11-05.
https://doi.org/10.1021/ie503284x
54.Zheng Zhao, Mingjiang Li, Daojian Cheng*, Jiqin Zhu. Understanding the structural properties and thermal stabilities of Au-Pd-Pt trimetallic clusters. Chemical Physics, 2014-09-30.
https://doi.org/10.1016/j.chemphys.2014.07.016
53.Wei Zhang, Daojian Cheng*, Jiqin Zhu. Theoretical study of CO catalytic oxidation on free and defective graphene-supported Au-Pd bimetallic clusters. RSC Advance, 2014-08-26.
https://doi.org/10.1039/C4RA05084C
52.Mang Niu, Daojian Cheng*, Dapeng Cao*. Fluorite TiO2(111) surface phase for enhanced visible-light solar energy conversion. The Journal of Physical Chemistry C, 2014-08-21.
https://doi.org/10.1021/jp504818j
51.Shaojie Li, Daojian Cheng*, Xiangguo Qiu, Dapeng Cao. Synthesis of Cu@Pd core-shell nanowires with enhanced activity and stability for formic acid oxidation. Electrochimica Acta, 2014-08-13.
https://doi.org/10.1016/j.electacta.2014.07.156
50.Daojian Cheng*, Xiangguo Qiu, Haiyan Yu. Enhancing oxygen reduction reaction activity of Pt-shelled catalysts via subsurface alloying. Physical Chemistry Chemical Physics, 2014-08-12.
http://doi.org/10.1039/C4CP02863E
49.Le Chang , Haoxiang Xu , Daojian Cheng*. Role of ligand type on the geometric and electronic properties of Ag-Au bimetallic clusters. Computational and Theoretical Chemistry, 2014-07-07.
https://doi.org/10.1016/j.comptc.2014.06.023
48.Haoxiang Xu, Daojian Cheng*. Effect of the passivating ligands on the geometric and electronic properties of Au–Pd nanoalloys. Journal of Cluster Science, 2014-06-28.
http://doi.org/10.1007/s10876-014-0755-8
47.Huaqiao Tan, Zhao Zhao, Mang Niu, Chengyu Mao, Dapeng Cao*, Pingyun Feng*, Zaicheng Sun*. A facile and versatile method for preparation of colored TiO2 with enhanced solar-driven photocatalytic activity. Nanoscale, 2014-06-13.
http://doi.org/10.1039/C4NR02677B
46.Bing Chen, Daojian Cheng*, Jiqin Zhu. Synthesis of PtCu nanowires in nonaqueous solvent with enhanced activity and stability for oxygen reduction reaction. Journal of Power Sources, 2014-06-07.
https://doi.org/10.1016/j.jpowsour.2014.05.104
45.Mang Niu, Daojian Cheng*, Dapeng Cao*. SiH/TiO2 and GeH/TiO2 heterojunctions: promising TiO2-based photocatalysts under visible light. Scientific Report, 2014-05-02.
http://doi.org/10.1038/srep04810
44.Daojian Cheng*, Haoxiang Xu, Alessandro Fortunelli. Tuning the catalytic activity of Au-Pd nanoalloys in CO oxidation via composition. Journal of Catalysis, 2014-04-24.
https://doi.org/10.1016/j.jcat.2014.03.017
43.Yu Fang, Daojian Cheng*, Wei Wu. Understanding electronic and optical properties of N-Sn codoped anatase TiO2. Computational Materials Science, 2014-04-01.
https://doi.org/10.1016/j.commatsci.2014.01.018
42.Mang Niu, Daojian Cheng*, Dapeng Cao*. Understanding the mechanism of photocatalysis enhancements in the graphene-like semiconductor sheet/TiO2 composites. The Journal of Physical Chemistry C, 2014-03-05.
https://doi.org/10.1021/jp412556r
41.Daojian Cheng, Minming Zhang, Jianfeng Chen*, Chenxi Yang, Xiaofei Zeng*, Dapeng Cao. Computer Screening of dopants for the development of new SnO2-based transparent conducting oxides. The Journal of Physical Chemistry C, 2014-01-15.
https://doi.org/10.1021/jp410363n
40.Mingjiang Li, Shaojie Li, Daojian Cheng*. Influence of adsorbates on the segregation properties of Au-Pd bimetallic clusters. Computational Materials Science, 2014-01-01.
https://doi.org/10.1016/j.commatsci.2013.08.019
39.Yang Yang, Daojian Cheng*. Role of composition and geometric relaxation in CO2 binding to Cu-Ni bimetallic clusters. The Journal of Physical Chemistry C, 2013-12-18.
https://doi.org/10.1021/jp4075674
38.Mingjiang Li, Daojian Cheng*. Molecular dynamics simulation of the melting behavior of crown-jewel structured au–pd nanoalloys. The Journal of Physical Chemistry C, 2013-08-27.
http://doi.org/10.1021/jp4062835
37.Daojian Cheng*, Shuai Yuan, Riccardo Ferrando*. Structure, chemical ordering and thermal stability of Pt–Ni alloy nanoclusters. Journal of Physics: Condensed Matter, 2013-08-02.
http://doi.org/10.1088/0953-8984/25/35/355008
36.Mang Niu, Daojian Cheng*,Dapeng Cao*. Understanding Photoelectrochemical Properties of B–N Codoped Anatase TiO2 for Solar Energy Conversion. The Journal of Physical Chemistry C, 2013-07-25.
http://doi.org/10.1021/jp4038792
35.Daojian Cheng*, Fabio R. Negreiros, Edoardo Aprà, Alessandro Fortunelli*. Computational Approaches to the Chemical Conversion of Carbon Dioxide. ChemSusChem, 2013-05-28.
http://doi.org/10.1002/cssc.201200872
34.Yu Fang, Daojian Cheng*, Mang Niu, Yongjun Yi, Wei Wu. Tailoring the electronic and optical properties of rutile TiO2 by (Nb + Sb, C) codoping from DFT + U calculations. Chemical Physics Letters, 2013-04-19.
http://doi.org/10.1016/j.cplett.2013.02.070
33.Daojian Cheng*, Kun Jiang. Structural stability and kinetics of small carbon clusters on a bimetallic Cu/Ni(111) surface: A first-principles study. Surface Science, 2013-03-01.
http://doi.org/10.1016/j.susc.2012.11.008
32.Mang Niu, Daojian Cheng*,Dapeng Cao*. Enhanced photoelectrochemical performance of anatase TiO2 by metal-assisted S-O coupling for water splitting. International Journal of Hydrogen Energy, 2013-02-06.
https://doi.org/10.1016/j.ijhydene.2012.10.109
31.Mang Niu, Daojian Cheng*, Lingjun Huo, Xiaohong Shao*. First principles study on the p-type transparent conducting properties of rutile Ti1−xlnxO2. Journal of Alloys and Compounds, 2012-10-01.
https://doi.org/10.1016/j.jallcom.2012.06.023
30.Ling Huang, Zhonghua Xiang, Daojian Cheng, Jianhui Lan, Wenchuan Wang. Tengben, Dapeng Cao*, Semiconducting and conducting transition of covalent-organic polymers induced by defects. Nanotechnology, 2012-09-07.
https://doi.org/10.1088/0957-4484/23/39/395702
29.Wenjie Xu, Daojian Cheng*, Mang Niu, Xiaohong Shao*, Wenchuan Wang. Modification of the adsorption properties of O and OH on Pt-Ni bimetallic surfaces by subsurface alloying. Electrochimica Acta, 2012-05-23.
https://doi.org/10.1016/j.electacta.2012.05.053
28.Bao Zhu, Y Wang, Daojian Cheng, I. S. Atanasov, Marc Hou. Ordering and segregation in isolated Au-Pd icosahedral nanoclusters and nanowires and the consequences of their encapsulation inside carbon nanotubes. Journal of Physics D: Applied Physics, 2012-04-02.
https://doi.org/10.1088/0022-3727/45/16/165302
27.Daojian Cheng*, Wenchuan Wang. Tailoring of Pd–Pt bimetallic clusters with high stability for oxygen reduction reaction. Nanoscale, 2012-02-14.
https://doi.org/10.1039/c2nr12097f
26.Mang Niu, Wenjie Xu, Xiaohong Shao, Daojian Cheng. Enhanced photoelectrochemical performance of rutile TiO2 by Sb-N donor-acceptor coincorporation from first principles calculations. Applied Physics Letters, 2011-11-14.
https://doi.org/10.1063/1.3662968
25.Daojian Cheng, I. S. Atanasov, Marc Hou. Influence of the environment on equilibrium properties of Au-Pd clusters. The European Physical Journal D, 2011-07-27.
https://doi.org/10.1140/epjd/e2011-20129-9
24.Daojian Cheng, Jianhui Lan, Dapeng Cao*, Wenchuan Wang. Adsorption and dissociation of ammonia on clean and metal-covered TiO2 rutile (110) surfaces: A comparative DFT study. Applied Catalysis B: Environmental, 2011-06-17.
https://doi.org/10.1016/j.apcatb.2011.06.010
23.Daojian Cheng*, Giovanni Barcaro, Jean-Christophe Charlier, Marc Hou, Alessandro Fortunelli. Homogeneous Nucleation of Graphitic Nanostructures from Carbon Chains on Ni(111). The Journal of Physical Chemistry C, 2011-05-12.
https://doi.org/10.1021/jp2028092
22.Bao Zhu, Z.Y. Pan, Marc Hou, Daojian Cheng, Y.X. Wang. Melting behaviour of gold nanowires in carbon nanotubes. Molecular Physics, 2011-02-20.
https://doi.org/10.1080/00268976.2010.533708
21.Daojian Cheng, Jianhui Lan*. Thermal behaviour of Pd clusters inside carbon nanotubes: insights into the cluster-size, tube-size and metal-tube interaction effects. Molecular Simulation, 2010-09-01.
https://doi.org/10.1080/08927021003762720
20.Daojian Cheng, Marc Hou, M. Moors, T. Visart de Bocarmé, N. Kruse. Triggering surface nickel diffusion by adsorption of carbon. Chemical Physics Letters, 2010-05-26.
https://doi.org/10.1016/j.cplett.2010.03.088
19.Daojian Cheng*, Marc Hou. Structures, thermal stability, and melting behaviors of free-standing pentagonal multi-shell Pd-Pt nanowires. The European Physical Journal B, 2010-03-09.
https://doi.org/10.1140/epjb/e2010-00086-5
18.Bao Zhu, Y. X. Wang, Z. Y. Pan, Daojian Cheng, Marc. Hou. Nanowire formation by coalescence of small gold clusters inside carbon nanotubes. The European Physical Journal D, 2010-03-02.
https://doi.org/10.1140/epjd/e2010-00046-3
17.Xin Liu, Daojian Cheng, Dapeng Cao*. The structure, energetics and thermal evolution of SiGe nanotubes. Nanotechnology, 2009-07-14.
https://doi.org/10.1088/0957-4484/20/31/315705
16.Jianhui Lan, Daojian Cheng, Dapeng Cao, Wenchuan Wang. Silicon nanotube as a promising candidate for hydrogen storage: from the first principle calculations to grand canonical monte carlo simulations. The Journal of Physical Chemistry C, 2008-03-19.
https://doi.org/10.1021/jp711754h
15.Daojian Cheng, Jianhui Lan, Wenchuan Wang*, Dapeng Cao. Theoretical study of the structures of MgO(100)-supported Au clusters. Surface Science, 2009-03-01.
https://doi.org/10.1016/j.susc.2009.01.039
14.Daojian Cheng, Wenchuan Wang*, Dapeng Cao*, Shiping Huang. Simulating synthesis of metal nanorods, nanoplates, and The Journal of Physical Chemistry C, 2009-02-12.
https://doi.org/10.1021/jp809628w
13.Daojian Cheng, Dapeng Cao*. Ternary alloying effect on the melting of metal clusters. The European Physical Journal B, 2008-09-27.
https://doi.org/10.1140/epjb/e2008-00377-4
12.Daojian Cheng, Dapeng Cao*. Structural transition and melting of onion-ring Pd-Pt bimetallic clusters. Chemical Physics Letters, 2008-08-08.
https://doi.org/10.1016/j.cplett.2008.06.062
11.Daojian Cheng, Wenchuan Wang*, Shiping Huang. Melting phenomena: effect of composition for 55-atom Ag-Pd bimetallic clusters. Physical Chemistry Chemical Physics, 2008-05-14.
https://doi.org/10.1039/b800630j
10.Daojian Cheng, Wenchuan Wang*, Dapeng Cao, Shiping Huang. Atomistic modeling of multishell onion-ring bimetallic nanowires and clusters. The Journal of Physical Chemistry C, 2008-03-12.
https://doi.org/10.1021/jp0776863
9.Daojian Cheng, Xin Liu, Dapeng Cao*. Surface segregation of Ag-Cu-Au trimetallic clusters. Nanotechnology, 2007-10-17.
https://doi.org/10.1088/0957-4484/18/47/475702
8.Daojian Cheng, Shiping Huang, Wenchuan Wang*. Core-shell-structured bimetallic clusters and nanowires. Journal of Physics: Condensed Matter, 2007-08-20.
https://doi.org/10.1088/0953-8984/19/35/356217
7.Daojian Cheng, Shiping Huang, Wenchuan Wang*. Melting behaviour of core-shell structured Ag-Rh bimetallic clusters. Chinese Physics Letters, 2007-06-01.
https://iopscience.iop.org/article/10.1088/0256-307X/24/6/062/pdf
6.Daojian Cheng, Shiping Huang, Wenchuan Wang*. Thermal evolution of Pd and Pd-Pt clusters supported on MgO(100). The Journal of Physical Chemistry C, 2007-05-11.
https://doi.org/10.1021/jp070534n
5.Daojian Cheng, Shiping Huang, Wenchuan Wang*. Thermal evolution of a platinum cluster encapsulated in carbon nanotubes. The Journal of Physical Chemistry C, 2007-01-05.
https://doi.org/10.1021/jp066306v
4.Daojian Cheng, Shiping Huang*, Wenchuan Wang. Structures of small Pd-Pt bimetallic clusters by monte carlo simulation. Chemical Physics, 2006-11-21.
https://doi.org/10.1016/j.chemphys.2006.09.015
3.Daojian Cheng, Shiping Huang, Wenchuan Wang*. Thermal behavior of core-shell and three-shell layered clusters: Melting of Cu1Au54 and Cu12Au43. Physical Review B, 2006-08-31.
https://doi.org/10.1103/PhysRevB.74.064117
2.Daojian Cheng, Wenchuan Wang*, Shiping Huang. The onion-ring structure for Pd-Pt bimetallic clusters. The Journal of Physical Chemistry B, 2006-08-24.
https://doi.org/10.1021/jp063721e
1.Daojian Cheng, Shiping Huang*, Wenchuan Wang*. The structure of 55-atom Cu-Au bimetallic clusters: Monte carlo study. The European Physical Journal D, 2006-04-04.
http://doi.org/10.1140/epjd/e2006-00069-3