2022年
1.Zuhao Shi, Arramel Arramel, Thomas Douglas Bennett, Yuanzheng Yue, Neng Li*,The Deformation of Short-Range Order Leading to Rearrangement of Topological Network Structure in Zeolitic Imidazolate Framework Glasses, iScience, 2022, accepted
2. Neng Li*, Tian Kang, Zuhao Shi, Yuling Liu, Tengfei Deng, Unveiling the electronic structures and optical properties of alkaline-earth oxides modified-silicate glass, International Journal of Applied Glass Science,2022, accpted
3.Xing Zhou*, Yaya Hao, Yaxin Li, Jiahe Peng, Guosheng Wang, Wee-Jun Ong, Neng Li*, MXenes: An Emergent Materials for Packaging Platforms and Looking Beyond, Nano Select, 2022, in press
4. Jing Zou, Jing Wu, Yizhou Wang, Fengxia Deng, Jizhou Jiang, Yizhou Zhang, Song Liu, Neng Li, Han Zhang, Jiaguo Yu, Tianyou Zhai, Husam N. Alshareef. Additive-mediated intercalation and surface modification of MXenes. Chemical Society Reviews, 2022, doi: 10.1039/d0cs01487g. (正封面论文）
5. Neng Li*, Yufei Yang, Zuhao Shi, Zhigao Lan, Arramel Arramel, Peng Zhang, Wee-JunOng, JizhouJiang, JianfengLu, Shedding light on the energy applications of emerging 2D hybrid organic-inorganic halide perovskites, iScience, 2022, 25(2), 103753.
6. Neng Li*, Jiahe Peng, Zuhao Shi, Peng Zhang, Xin Li, Charge transfer and orbital reconstruction of non-noble transition metal single-atoms anchored on Ti2CTx-MXenes for highly selective CO2 electrochemical reduction, Chinese Journal of Catalysis, 2022, 43, 0-0. DOI: 10.1016/S1872-2067(21)64018-4
7. Jiahe Peng, Xiao Wang, Zheng Wang, Bin Liu, Peng Zhang, Xin Li*, and Neng Li*, Uncovering the Mechanism for Urea Electrochemical Synthesize by Coupling N2 and CO2 on Mo2C-MXene, Chin. J. Struct. Chem. 2022, 41, 22XXXX-22XXXX. DOI: 10. 14102/j.cnki.0254-5861 .2022-01 00
2021
1. Bin Huang, Bibo Chen, Guoping Zhu, Yong Qian, Peng Zhang, Wee-Jun Ong, Neng Li*, Unveiling the Mechanism of Electrochemical Ammonia Synthesis via NO Reduction on 2D Metal-Organic Frameworks, ChemPhysChem, 2021, accepted. DOI: 10.1002/cphc.202100785
2. Neng Li*, Jiahe Peng, Wee-Jun Ong, Tingting Ma, Arramel, Peng Zhang, Jizhou Jiang, Xiaofang Yuan, and Chuanfang (John) Zhang, MXenes: An Emerging Platform for Wearable Electronics and Looking Beyond, Matter, 2021, 4(3), 377-407.
3. Rongchen Shen; Kelin He; Aiping Zhang; Neng Li*, Yun Hau Ng; Peng Zhang; Jun Hu, Xin Li*, In-situ construction of metallic Ni3C@Ni Core–Shell Cocatalysts over g-C3N4 Nanosheets for Shell-thickness-dependented Photocatalytic H2 Production, Applied Catalysis B: Environmental, 2021, 291, 120104.
4. Sen Jin, Zuhao Shi, Huijuan Jing, Libo Wang, Qianku Hu, Deliang Chen*, Neng Li*, and Aiguo Zhou*, Mo2C-MXene/CdS Heterostructures as Visible-Light Photocatalysts with an Ultrahigh Hydrogen Production Rate. ACS Applied Materials & Interfaces, 2021, 4, 11, 12754–12766.
5 . Bin Huang, Yifan Wu, Bibo Chen, Yong Qian, Naigen Zhou, Neng Li*, Transition-Metal-Atom-Pairs Deposited on g-CN Monolayer for Nitrogen Reduction Reaction: Density Functional theory Calculations, Chinease Journal of Catalysis, 2021, 42(6), 1160-1167.
6. Xingzhu Chen, Wee-Jun Ong, Xiujian Zhao, Peng Zhang, Neng Li*, Insights into electrochemical nitrogen reduction reaction mechanisms: combined effect of single transition-metal and boron atom, Journal of Energy Chemistry, 2021, 58, 577-585.
7. Youwei Zhang, Xingzhu Chen, Arramel, Kwaw Blankson Augustine, Peng Zhang, Jizhou Jiang, Qi Wu, Neng Li*, Atomic-Scale Superlubricity in Ti2CO2@MoS2 Layered Heterojunctions Interface: A First Principles Calculation Study. ACS Omega, 2021, 6(13), 9013–9019.
8. Yang Wu, Xingzhu Chen, Kaiyi Weng, Arramel, Jizhou Jiang, Wee-Jun Ong, Peng Zhang, Xiujian Zhao, Neng Li*. Highly Sensitive and Selective Gas Sensor Using Heteroatom Doping Graphdiyne: A DFT Study. Advanced Electronic Materials, 2021, 7(7), 2001244.
9. Zhoulan Zeng, Xingzhu Chen, Kaiyi Weng, Yang Wu, Peng Zhang, Jizhou Jiang, Neng Li*. Computational screening study of double transition metal carbonitrides M2M″CNO2-MXene as catalysts for hydrogen evolution reaction. npj Computational Materials, 2021, 7(1).
10. Neng Li*, Zhoulan Zeng, Youwei Zhang, Xingzhu Chen, Zhouzhou Kong, Arramel, Yong Li, Peng Zhang, Ba-Son Nguyen,Double Transition Metal Carbides MXenes (D-MXenes) as Promising Electrocatalysts for Hydrogen Reduction Reaction: Ab initio Calculations. ACS Omega, 2021, 6, 37, 23676–23682.
11. Yulin Xie, Jiashun Duan, Liping Peng*, Arramel, Neng Li*. Understanding the Mechanism of PbCl2 Additive for MAPbI3 ‐Based Perovskite Solar Cells. Advanced Photonics Research, 2021, 2(8), 2100012.
12 . Wei Xie, Liping Peng, Neng Li*. An Insight into the Effects of SnF2 Assisting the Performance of Lead-Free Perovskite of FASnI3: A First-Principles Calculations. ACS Omega, 2021, 6(23), 14938–14951.
13.Yongqiang Zhang, Bin Li, Zhe Wang, Shouqin Tian*, Baoshun Liu, Xiujian Zhao, Neng Li*, Gopinathan Sankar, Shifeng Wang. Facile Preparation of Zn2V2O7–VO2 Composite Films with Enhanced Thermochromic Properties for Smart Windows. ACS Applied Electronic Materials, 2021, 3(5), 2224–2232.
14. Sahib Hasan, Khagendra Baral, Neng Li*, Wai‑Yim Ching. Structural and physical properties of 99 complex bulk chalcogenides crystals using first-principles calculations. Scientific Reports, 2021, 11(1).
15. Pengfei Chen, Yiao Huang, Zuhao Shi, Xingzhu Chen, Neng Li*. Improving the Catalytic CO2 Reduction on Cs2AgBiBr6 by Halide Defect Engineering: A DFT Study. Materials, 2021, 14(10), 2469.
16. Xiaomiao He, Saishuai Bai, Jizhou Jiang, Wee-Jun Ong, Jiahe Peng, Zhiguo Xiong,Guodong Liao, Jing Zou, Neng Li*. Oxygen vacancy mediated step-scheme heterojunction of WO2.9/g-C3N4 for efficient electrochemical sensing of 4-nitrophenol. Chemical Engineering Journal Advances ,2021, 8, 100175.
17. Neng Li*, Hai Hu, Fei Guo, Haizheng Tao. Uncovering the Phase Transition of Berlinite (α-AlPO4) under High Pressure: Insights from First-principles Calculations. Journal of Wuhan University of Technology-Mater. Sci. Ed. 2021, 36(2), 248–254.
18. Chenxu Miao, Chunliang Zhou, Hong-En Wang, Kai Zhu , Ke Ye , Qian Wang , Jun Yan, Dianxue Cao, Neng Li, Guiling Wang*, Hollow Co–Mo–Se nanosheet arrays derived from metal-organic framework for high-performance supercapacitors. Journal of Power Sources, 2021, 490, 229532.
19. Dong Wang, Xing Zhou, Renfang Song, Zhen Wang, Changqing Fang, Neng Li, Chenxi Wang, Jingrui Deng, Yingwei Huang, Self-adhesive protein/polypyrrole hybrid film for flexible electronicsensors in physiological signal monitoring. International Journal of Biological Macromolecules, 2021, 181, 160-168.
20. Yongshang Zhang, Peng Zhang, Shijie Zhang, Zheng Wang, Neng Li, S. Ravi P. Silva, Guosheng Shao. A flexible metallic TiC nanofiber/vertical graphene 1D / 2D heterostructured as active electrocatalyst for advanced Li–S batteries. InfoMat, 2021, 3(7), 790–803.
21. Deyao Xu, Xuanda Long, Juanxiu Xiao, Zhiliang Zhang, Guiyu Liu, Haixia Tong, Zeng Liu, Neng Li, Dong Qian a, Junhua Li b, Jinlong Liu. Rationally constructing CoO and CoSe2 hybrid with CNTs-graphene for impressively enhanced oxygen evolution and DFT calculations. Chemical Engineering Journal, 2021, 422, 129982.
22. Hao Liu, Tianyu Wang, Yongshuai Wang, Yang Li, Neng Li, Hai Xu, Huanli Dong, A novel rare-earth luminescent coordination polymer showing potential semiconductor characteristic constructed by anthracene-based dicarboxylic acid ligand (H2L). Journal of Molecular Structure, 2021, 1243, 130788.
23. Chao Liu, Linshan Wei, Xiaoyan Yin, Xueyuan Pan, Jun Hu, Neng Li, Junming Xu, Jianchun Jiang, Kui Wang*, Synthesis of furfural from xylan in γ-valerolactone/molten salt hydrate biphasic system. Chemical Engineering Journal, 2021, 425, 130608.
24. Jun Ren, Miao Shen, Zhouli Li, Chunming Yang, Yun Liang, Hong-En Wang*, Junhua Li, Neng Li, Dong Qian. Towards high-performance all-solid-state asymmetric supercapacitors: A hierarchical doughnut-like Ni3S2@PPy core−shell heterostructure on nickel foam electrode and density functional theory calculations. Journal of Power Sources, 2021, 501, 230003.
25. Weibing Song, Hongyu Lu, Wenlong Zhao, Xiaofei Cao, Lei Yan, Jingxin Zhao, Neng Li, Yuxin Tang, Jun Hu*, Control of Shape and Size in Iron Fluoride Porous Sub-Microspheres: Consequences for Steric Hindrance Interaction. Front. Nanotechnol, 2021, 07.
26. 李 能*，曾州岚，刘滨， 吴 婧， 胡福云，谢伟，鲁雪莲，MXenes电催化析氢的研究进展，华中师范大学学报(自然科学版), 2021, 55, 6
27. 李 能*，曾宪兵，陈怡君，吴 婧，新型二维材料MXene及MBene制备的研究进展，武汉工工程大学学报, 2021, 11, 22
2020
28 Neng Li*, Kwaw Blankson, Yufei Yang, Peng Zhang, Xiujian Zhao, Unraveling the electronic structure, mechanical and dielectric properties of ZnPurBr-MOF: Ab initio calculations, APL Materials, 2020, 8, 111101.
29 Mengkai Yao, Zuhao Shi, Peng Zhang, Wee-Jun Ong, Jizhou Jiang, Wai-Yim Ching, Neng Li*, Density Functional Theory Study of Single Metal Atoms Embedded into MBenes for Electrocatalytic Conversion of N2 to NH3, ACS Applied Nano Materials, 2020, 3, 10, 9870–9879.
30 Ruohan Hou, Shijie Zhang, Peng Zhang*, Yongshang Zhang, Neng Li, Zuhao Shi, Guosheng Shao*, Ti3C2 MXene as the “energy band bridge” to regulate the heterointerface mass transfer and electrons reversible exchange process for Li-S batteries, Journal of Materials Chemistry A, 2020, 1-14.
31 Cheng-Yen Lao, Qiyao Yu, Jun Hu, Neng Li, Giorgio Divitini, Hyun-Kyung Kim, Wei Wang, Yingjun Liu, Xingzhu Chen, Ramachandran Vasant Kumar, Oxygen Defect Chemistry for the Reversible Transformation of Titanates for Sizeable Potassium Storage, J. Mater. Chem. A, 2020, 8, 17550-17557.
32 Bing Li，Yang Wu，Neng Li*，Xingzhu Chen，Xianbing Zeng，Arramel，Xiujian Zhao，Jizhou Jiang*, Single-Metal Atoms Supported on MBenes for Robust Electrochemical Hydrogen Evolution. ACS Applied Materials & Interfaces 2020, 12 (8), 9261-9267.
33 Puja Adhikari，Neng Li，Matthew Shin，Nicole F. Steinmetz，Reidun Twarock，Rudolf Podgornik，Wai-Yim Ching, Intra- and intermolecular atomic-scale interactions in the receptor binding domain of SARS-CoV-2 spike protein: implication for ACE2 receptor binding. Physical Chemistry Chemical Physics 2020, 22 (33), 18272-18283.
34 Pengfei Chen，Wee-Jun Ong*，Zuhao Shi，Xiujian Zhao，Neng Li*, Pb-Based Halide Perovskites: Recent Advances in Photo(electro)catalytic Applications and Looking Beyond. Advanced Functional Materials 2020, 30 (30), 1909667.
35 Bo Ding，Wee-Jun Ong，Jizhou Jiang，Xingzhu Chen，Neng Li*, Uncovering the electrochemical mechanisms for hydrogen evolution reaction of heteroatom doped M2C MXene (M = Ti, Mo). Applied Surface Science 2020, 500, 143987.
36 Shujuan Dong，Fengning Zhang，Neng Li，Jinyan Zeng，Panpan Liang，Hao Zhang，Huiqi Liao，Jianing Jiang，Longhui Deng，Xueqiang Cao, Thermal radiation and cycling properties of (Ca, Fe) or (Sr, Mn) co-doped La2Ce2O7 coatings. Journal of the European Ceramic Society 2020, 40 (5), 2020-2029.
37 Cheng-Yen Lao，Qiyao Yu，Jun Hu，Neng Li，Giorgio Divitini，Hyun-Kyung Kim，Wei Wang，Yingjun Liu，Xingzhu Chen，R. Vasant Kumar, Oxygen defect chemistry for the reversible transformation of titanates for sizeable potassium storage. Journal of Materials Chemistry A 2020, 8 (34), 17550-17557.
38 Difei Leng，Xiangguo Li，Yang Lv，Hongbo Tan，Neng Li，Zhuolin Liu，Wenguang Jiang，Dongbing Jiang, Cesium immobilization by K-struvite crystal in aqueous solution: Ab initio calculations and experiments. Journal of Hazardous Materials 2020, 387, 121872.
39 Xu Luo，Pengxia Ji，Pengyan Wang，Ruilin Cheng，Ding Chen，Can Lin，Jianan Zhang*，Jianwei He，Zuhao Shi，Neng Li*，Shengqiang Xiao，Shichun Mu*, Interface Engineering of Hierarchical Branched Mo-Doped Ni3S2/NixPy Hollow Heterostructure Nanorods for Efficient Overall Water Splitting. Advanced Energy Materials 2020, 10 (17), 1903891.
40 Rongchen Shen，Liping Zhang，Xingzhu Chen，Mietek Jaroniec，Neng Li*，Xin Li, Integrating 2D/2D CdS/α-Fe2O3 ultrathin bilayer Z-scheme heterojunction with metallic β-NiS nanosheet-based ohmic-junction for efficient photocatalytic H2 evolution. Applied Catalysis B: Environmental 2020, 266, 118619.
41 Yong Tao，Wenqin Zhang，Neng Li，Wai-Yim Ching，Fazhou Wang，Shuguang Hu, Atomic-level insights into the influence of zinc incorporation on clinker hydration reactivity. Open Ceramics 2020, 1, 100004.
42 Huan Xie，Neng Li，Xingzhu Chen，Jizhou Jiang，Xiujian Zhao, Surface oxygen vacancies promoted photodegradation of benzene on TiO2 film. Applied Surface Science 2020, 511, 145597.
43 Yi Xie*，Md Mushfiqure Rahman，Shefiu Kareem，Hao Dong，Fen Qiao，Wei Xiong，Xiaoqing Liu，Neng Li*，Xiujian Zhao, Facile synthesis of CuS/MXene nanocomposites for efficient photocatalytic hydrogen generation. CrystEngComm 2020, 22 (11), 2060-2066.
44 Mo Xiong，Neng Li*，Guanchao Yin，Wai-Yim Ching，Xiujian Zhao*, Effects of the halogenated imidazolate linker on the fundamental properties of amorphous zeolitic imidazolate frameworks. Journal of Non-Crystalline Solids 2020, 536, 120005.
45 Mo Xiong，Xiujian Zhao，Neng Li*，Hong Xu, General energy-strain scheme for accurate evaluation of the Born elasticity term for solid and liquid systems under finite temperature and pressure conditions. Computer Physics Communications 2020, 247, 106940.
46 Mo Xiong，Xiujian Zhao，Guanchao Yin，Wai-Yim Ching，Neng Li, Correction: Unraveling the effects of linker substitution on structural, electronic and optical properties of amorphous zeolitic imidazolate frameworks-62 (a-ZIF-62) glasses: a DFT study. RSC Advances 2020, 10 (28), 16804-16804.
47 Mo Xiong，Xiujian Zhao，Guanchao Yin，Wai-Yim Ching，Neng Li, Unraveling the effects of linker substitution on structural, electronic and optical properties of amorphous zeolitic imidazolate frameworks-62 (a-ZIF-62) glasses: a DFT study. RSC Advances 2020, 10 (24), 14013-14024.
48 Quan Xu*，Junfei Ma，Waleed Khan，Xianbing Zeng，Neng Li*，Yi Cao，Xuelin Zhao，Meng Xu*, Highly green fluorescent Nb2C MXene quantum dots. Chemical Communications 2020, 56 (49), 6648-6651.
49 Jing Zou，Wenming Deng，Jizhou Jiang*，Arramel，Xiaomiao He，Neng Li*，Junxiong Fang，Jyh-Ping Hsu*, Built-in electric field-assisted step-scheme heterojunction of carbon nitride-copper oxide for highly selective electrochemical detection of p-nonylphenol. Electrochimica Acta 2020, 354, 136658.
50 Jing Zou，Dongpeng Mao，Arramel，Neng Li，Jizhou Jiang, Reliable and selective lead-ion sensor of sulfur-doped graphitic carbon nitride nanoflakes. Applied Surface Science 2020, 506, 144672.
51 Mengkai Yao, Zuhao Shi, Peng Zhang, Wee-Jun Ong, Jizhou Jiang, Wai-Yim Ching, Neng Li*，Density Functional Theory Study of Single Metal Atoms Embedded into MBenes for Electrocatalytic Conversion of N2 to NH3 2020, 3, 10, 9870–9879.
52 Neng Li*, Zhouzhou Kong, Xingzhu Chen, Yufei Yang, Research progress of novel two-dimensional materials in Photocatalysis and Electrocatalysis. Journal of Inorganic Materials 2020, 35(7), 735-747.
53 Neng Li*, Hai Hu, Fei Guo, Haizheng Tao, Uncovering the phase transition of berlinite (α-AlPO4) under high pressure: Insights from first-principles calculations. Journal of Wuhan University of Technology (Materials Science) 2020, 36, 248–254.
54 李能，孔周舟、陈星竹、杨雨菲，新型二维材料光电催化研究进展[J]; 无机材料学报, 2020, 35(7), 735.
2019
55 Neng Li*, Jiahe Peng, Wee-Jun Ong, 2020 roadmap on two-dimensional nanomaterials for environmental catalysis: MXenes for electrocatalyst, Chinese Chemical Letters, 2019, 30(12), 2065-2088;
56 Jing Zou, Dongpeng Mao, Arramel, Neng Li*, Jizhou Jiang*, Reliable and Selective Lead-Ion Sensor of Sulfur-Doped Graphitic Carbon Nitride Nanoflakes, Applied Surface Science, 2019, 144672;
57 Bo Li, Wei Chen*, Neng Li, Brouwers, H.J.H., Understanding Hydrogen Bonding in Calcium Silicate Hydrate Combining Solid-state NMR and First Principle Calculations, Construction & Building Materials, 2019, 233, 117347;
58 Bin Huang, Neng Li,* Wee-Jun Ong, and Naigen Zhou, Single atom supported MXene: How single-atomic-site catalysts tune high activity and selectivity of electrochemical nitrogen fixation, J. Mater. Chem. A, 2019, 7, 27620-27631;
61 Bo Ding, Wee-Jun Ong, Jizhou Jiang, Xingzhu Chen, Neng Li*, Uncovering the electrochemical mechanisms for hydrogen evolution reaction of heteroatom doped M2C MXene (M= Ti, Mo), Applied surface science, 2020,500,143987;
63 Yan Qin, Zhengxing Lv, Shuguang Chen, Wei Li, Xiang Wu, Lei Ye, Neng Li*, Pei-Xiang Lu, Tuning Pressure-Induced Phase Transitions, Amorphization and Excitonic Emissions of 2D Hybrid Perovskites via Varying Organic Amine Cations, J. Phys. Chem. C, 2019, 123, 36, 22491-22498;
64 Jizhou Jiang#, Neng Li#, Jing Zou, Xing Zhou, Goki Eda, Qingfu Zhang, Hua Zhang, Lain-Jong Li, Tianyou Zhai, Andrew T. S. Wee, Synergistic additive-mediated CVD growth and chemical modification of 2D materials, Chem. Soc. Rev., 2019, 48, 4639-4654;
65 Yong Tao, Wenqin Zhang, Neng Li, Fazhou Wang, Shuguang Hu, Atomic Occupancy Mechanism in Brownmillerite Ca2FeAlO5 from a Thermodynamic Perspective, Journal of American Ceramic Society, 2019, 103(1), 635-644;
66 Qingwen Guan, Junfei Ma, Wenjing Yang, Rui Zhang, Xiaojie Zhang, Xiaoxiao Dong, Yuting Fan, Lulu Cai*, Yi Cao, Yilin Zhang, Neng Li*, Quan Xu, Highly Fluorescent Ti3C2 MXene Quantum Dots for Macrophage Labeling and Cu2+ Ion Sensing, Nanoscale, 2019,11, 14123-14133;
68 Bo Li, Shizhe Zhang, Qiu Li, Neng Li, Bo Yuan, Wei Chen*, Brouwers H. J.H, Qingliang Yu, Uptake of Heavy Metal Ions in Layered Double Hydroxides and Applications in Cementitious Materials: Experimental Evidence and First-principle Study, Construction and Building Materials, 2019, 222, 96-1072019;
69 Yong Tao, Neng Li, Wenqin Zhang, Fazhou Wang, Shuguang Hu, Understanding the zinc incorporation into silicate clinker during waste co-disposal of cement kiln: A density functional theory study, Journal of Cleaner Production, 2019, 232, 329-336;
70 Quan Xu*, Wenjing Yang, Yangyang Wen, Shengkun Liu, Zheng Liu, Wee-Jun Ong*, and Neng Li*, Hydrochromic Full-Color MXene Quantum Dots through Hydrogen Bonding toward Ultrahigh-Efficiency White Light-Emitting Diodes, Applied Materials Today, 2019, 16, 90-101;
71 Jun Hu*, Zhen Wang, Tiantian Wang, Peiyin Xu, Neng Li*, Investigation on the synergy mechanism of mixed inhibitors – Mannich base and Na2WO4 on Fe surface by molecules dynamic simulation, Journal Molecular Simulation, 2019, 45, 11.
72 Hailong Wang, Neng Li*, Zhongbo Hu, Thomas D. Bennett, Xiujian Zhao, and Wai-Yim Ching*, Structural, electronic and dielectric properties of a large random network model of amorphous ZIFs and its analogues, Journal of the American Ceramic Society, 2019, 102(8), 4602-4611.
73 Wenke Li, Neng Li*, Chao Liu*, G. N. Greaves, Wee-Jun Ong, Xiujian Zhao, Understanding the Atomic and Electronic Structures Origin of Defect Luminescence of CdSe Quantum Dots in Glass Matrix, J. Am. Cera. Soc., 2019, 102, 8, 4602-4611.
74 Yong Tao, Wenqin Zhang, Neng Li, Fazhou Wang, Shuguang Hu, predicting hydration reactivity of Cu-doped clinker crystals by capturing electronic structure modification, ACS Sustainable Chemistry & Engineering, 2019, 7, 6, 6412-6421.
75 Miaoran Zhang, Rigu Su, Jian Zhong, Ling Fei, Wei Cai, Xiaowen Guan, Weijun Li, Neng Li, Yusheng Chen, Lulu Cai, Quan Xu, Red/ Orange dual-emissive carbon dots for pH sensing and cell imaging, Nano Research, 2019, 12, 4, 815-821.
76 Yong Tao, Wenqin Zhang, Neng Li, Wai-Yim Ching, Fazhou Wang, Shuguang Hu, Atomistic Insights into Hydration Reactivity of Clinker Crystals with Chemical Impurity, Acta Materialia, 2019, Available at SSRN 3313265.
77 Zhen Wang, Tiantian Wang, Jianbo Zhu, Liping Wei, Yizhou Shen, Neng Li, Jun Hu, Synergistic effect and mechanism of copper corrosion inhibition using cinnamaldehyde and vanillin in HCl solution: An experimental and theoretical approach, Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2019, 563, 246-254.
78 Wenke Li, Neng Li*, Chao Liu*, G. N. Greaves, Wee-Jun Ong, Xiujian Zhao, Understanding the Atomic and Electronic Structures Origin of Defect Luminescence of CdSe Quantum Dots in Glass Matrix, Journal of American Ceramic Society, 2019, 102, 9, 5375-5385.
79 Jiahe Peng, Xingzhu Chen, Wee-Jun Ong, Xiujian Zhao, Neng Li*, Surface and Heterointerface Engineering of 2D MXenes and Their Nanocomposites: Insights into Electro-and Photocatalysis, Chem 5, 1–33 (2019) 影响因子14.104，细胞（cell）子刊
80 Zhouzhou Kong, Xingzhu Chen, Wee-Jun Ong*, Xiujian Zhao, Neng Li*, Atomic-level insight into the mechanism of 0D/2D black phosphorus quantum dot/graphitic carbon nitride (BPQD/GCN) metal-free heterojunction for photocatalysis, Applied Surface Science, 2019, 463, 1148-1153.
82 Neng Li*, Zuhao Shi, Xingzhu Chen, Fei Guo, Recent Progress in Synthesis of MXene and MXene-based Composites by Intercalation Confinement Engineering, Journal of Wuhan Institute of Technology, 2019, 41 (1), 1-12.
83 李能，史祖皓，陈星竹，郭飞，插层限域工程制备MXene及其复合材料的进展[J]；武汉工程大学学报，2019，41(1), 46-54.
2018
84 Puja Adhikari, Neng Li*, Rulis Paul, Wai-Yim Ching*, Deformation behavior of amorphous zeolitic imidazolate framework-from supersoft material to complex organometallic alloy, Phys. Chem. Chem. Phys., 2018, 20, 29001-29011. 封面论文
85 Quan Xu, Wei Cai, Wenke Li, Theruvakkattil Sreenivasan Sreeprasad, Ziyin He, Wee-Jun Ong, Neng Li*, Two-dimensional quantum dots: Fundamentals, photoluminescence mechanism and their energy and environmental applications, Materials Today Energy, 2018, 10, 222-240
86 Xingzhu Chen, Xiujian Zhao, Zhouzhou Kong, Wee-Jun Ong, Neng Li*, Unravelling the electrochemical mechanisms for nitrogen fixation on single transition metal atoms embedded in defective graphitic carbon nitride, J. Mater. Chem. A, 2018, 6, 21941-21948
87 Yong Tao, Wenqin Zhang, Dechen Shang, Zhongsheng Xia, Neng Li*, Wai-Yim Ching, Fazhou Wang*, Shuguang Hu, Comprehending the occupying preference of manganese substitution in crystalline cement clinker phases: A theoretical study, Cement and Concrete Research,2018,109, 19-29
88 Kelin He, Zhao-Qing Liu Jun Xie, Neng Li*, Xiaobo Chen, Jun Hu, Xin Li*, Multi-funcational Ni3C Cocatalyst/g-C3N4 nanoheterojunctions for robust photocatalytic H2 evolution under Visible Light, J. Mater. Chem. A, 2018, 6, 13110-13122 影响因子9.931
89 Quan Xu, Lan Ding, Yangyang Wen, Wenjing Yang, Hongjun Zhou, Xingzhu Chen, Jason Street, Aiguo Zhou, Wee-Jun Ong and Neng Li*, High photoluminescence quantum yield of 18.7% by using nitrogen-doped Ti3C2 MXene quantum dots, J. Mater. Chem. C, 2018, 6, 6360-6369
90 Saro San, Neng Li*, Yong Tao, Wenqin Zhang Wai‐Yim Ching*, Understanding the Atomic and Electronic Origin of mechanical property in thaumasite and ettringite mineral crystals, J Am Ceram Soc. 2018;101:2527–2536. 影响因子2.956中科院1区
91 Quan Xu, Rigu Su, Yusheng Chen, Sreeprasad Theruvakkattil Sreenivasan, Neng Li*, XuSheng Zheng, Junfa Zhu, Haibin Pan, Weijun Li, Chunming Xu, Zhenhai Xia, Liming Dai, Metal Charge Transfer Doped Carbon Dots with Reversibly Switchable, Ultra-High Quantum Yield Photoluminescence, ACS Appl. Nano Mater., 2018, 1 (4), 1886–1893
92 Quan Xu, Bofan Li, Yingchun Ye, Wei Cai, Weijun Li, Chuanyao Yang, Yusheng Chen, Meng Xu, Neng Li*, Xusheng Zheng, Jason Street, Yan Luo, Lulu* Cai, Synthesis, Mechanical Investigation, and Application of Nitrogen and Phosphorus Co-doped Carbon Dots with a Highly Photoluminescent Quantum Yield, Nano Research 2018, 11(7): 3691–3701
93 Pengfei Chen, Neng Li*, Xingzhu Chen, Wee-Jun Ong, Xiujian Zhao, The rising star of 2D black phosphorus beyond graphene: Synthesis, properties and electronic applications, 2D Mater. 2018, 5 014002 影响因子7.042，ESI高被引论文
94 Xingzhu Chen, Neng Li*, Zhouzhou Kong, Wee-Jun Ong, Xiujian Zhao, Photocatalytic fixation of nitrogen to ammonia: state-of-the-art advancements and future prospects, Mater. Horiz., 2018, 5, 9-27 影响因子13.183，ESI高被引论文，封面论文
95 Yong Tao, Wenqin Zhang, Neng Li, Dechen Shang, Zhongsheng Xia, Fazhou Wang*, Fundamental principles that govern the copper doping behavior in complex clinker system, J Am Ceram Soc. Doi: 10.1111/jace.15393
96 李能*，陈星竹，孔周舟，新型光催化材料的第一性原理计算表征、理论设计与机理研究，2018第二届全国光催化材料创新与应用学术研讨会会议论文
2017
97 L. Longley, Neng Li, F Wei, T. D. Bennett, Uncovering a reconstructive solid–solid phase transition in a metal–organic framework, Royal Society Open Science, 2017, 4(11):171355 (理论贡献)
98 Neng Li, Xingzhu Chen, Wee-Jun Ong, Douglas R. Macfarlane, Xiujian Zhao, Anthony K. Cheetham, Chenghua Sun*, Understanding of Electrochemical Mechanisms for CO2 Capture and Conversion into Hydrocarbon Fuels in Transition-Metal Carbides (MXenes), ACS Nano 2017, 11, 11, 10825-10833影响因子13.709，ESI高被引论文 封面论文
99 Xiangdi Meng, Gaoke Zhang, Neng Li*, Bi24Ga2O39 for visible light photocatalytic reduction of Cr(VI): Controlled synthesis, facet-dependent activity and DFT study, Chem. Eng.J. 2017,314, 249-256影响因子6.735, ESI高被引论文
100 Haiyan Wang, Hao Jiang, Yanjie Hu, Neng Li*, Xiujian Zhao and Chunzhong Li*, 2D MoS2/polyaniline heterostructures with enlarged interlayer spacing for superior lithium and sodium storage, J. Mater. Chem. A, 2017, 5, 5383-5389
101 Meinan Wan, Mo Xiong, Neng Li*, Baoshun Liu, Shuo Wang, Wai-Yim Ching, Xiujian Zhao*, Applied Surface Science, 2017, 410, 363-372
102 Yangyang Wen, Thomas E. Rufford, Xingzhu Chen, Neng Li, Miaoqiang Lyu, Liming Dai, LianzhouWang, Nitrogen-doped Ti3C2Tx MXene electrodes for high-performance supercapacitors, Nano Energy, 2017, 38, 368-376 (理论计算贡献)
103 Wee-Jun Ong, Lutfi Kurnianditia Putri, Yoong-Chuen Tan, Lling-Lling Tan, Neng Li, Yun Hau Ng, Xiaoming Wen, Siang-Piao Chai*, Unravelling charge carrier dynamics in protonated g-C3N4 interfaced with carbon nanodots as co-catalysts toward enhanced photocatalytic CO2 reduction: A combined experimental and first-principles DFT study, Nano Research, 2017, 10(5), 1673–1696 (理论计算贡献)
104 Yi Xie*, Wenhui Chen, Giovanni Bertoni, Ilka Kriegel, Mo Xiong, Neng Li, Mirko Prato, Andreas Riedinger, Ayyappan Sathya and Liberato Manna*, Tuning and Locking the Localized Surface Plasmon Resonances of CuS (Covellite) Nanocrystals by an Amorphous CuPdxS Shell, Chem. Mater. 2017, 29, 4, 1716-1723 (理论计算贡献)
105 李能，陈星竹，赵修建，新型二维材料MXene储锂机理的多尺度研究，中国化学学会第30届学术年会, 2017, 会议论文
2016
106 S. K. Verma, R. Verma, Neng Li*, D. Xiong, S. Tian, W.Xiang, Z.Zhang, Y.Xie, X.Zhao, Fabrication and band engineering of Cu-doped CdSe0. 6Te0. 4-alloyed quantum dots for solar cells, Sol. Ebergy Mat. Sol. C., 2016, 157, 161-170 影响因子5.018 中科院1区
107 Hongli Sun, Neng Li*, Gaoke Zhang, Microtetrahedronal Bi12TiO20/g-C3N4 composite with enhanced visible light photocatalytic activity toward gaseous formaldehyde degradation: facet coupling effect and mechanism study, J Mml Catal A-Chem, 2016, 424, 311–322 影响因子4.397
108 Xingzhu Chen, Zhouzhou Kong, Neng Li*, Xiujian Zhao* and Chenghua Sun*, Proposing the prospects of Ti3CN transition metal carbides (MXenes) as anodes of Li-ion batteries: a DFT study, Phys. Chem. Chem. Phys., 2016, 18, 32937-32943 影响因子3.906
109 Puja Adhikari, Mo Xiong, Neng Li*, Xiujian Zhao, Paul Rulis, and Wai-Yim Ching*, Structure and Electronic Properties of a Continuous Random Network Model of an Amorphous Zeolitic Imidazolate Framework (a-ZIF), J. Phys. Chem. C 2016, 120, 28, 15362-15368 影响因子4.484
110 Huan Xie, Neng Li*, Baoshun Liu, Jingjing Yang, and Xiujian Zhao*, Role of Sodium Ion on TiO2 Photocatalyst: Influencing Crystallographic Properties or Serving as the Recombination Center of Charge Carriers? J. Phys. Chem. C 2016, 120, 19, 10390-10399 影响因子4.484
111 Quan Xu, Jianfei Wei, Jinglin Wang, Yao Liu, Neng Li*, Yusheng Chen, Chun Gao, Wenwen Zhang and Theruvakkattil Sreenivasan Sreeprased, Facile synthesis of copper doped carbon dots and their application as a “turn-off” fluorescent probe in the detection of Fe3+ ions, RSC Adv., 2016, 6, 28745-28750 影响因子2.936
112 Quan Xu, Yao Liu, Rigu Su, Lulu Cai*, Bofan Li, Yingyuan Zhang, Linzhou Zhang, Yajun Wang, Yan Wang, Neng Li*, Xiao Gong, Zhipeng Gu, Yusheng Chen, Yanglan Tan, Chenbo Dong and Theruvakkattil Sreenivasan Sreeprasad, Highly fluorescent Zn-doped carbon dots as Fenton reaction-based bio-sensors: an integrative experimental–theoretical consideration, Nanoscale, 2016, 8, 17919-17927 影响因子7.233, 中科院1区
113 Quan X, Tairong Kuang, Yao Liu, Lulu Cai*, Xiangfang Peng, Theruvakkattil Sreenivasan Sreeprasad, Peng Zhao*, Zhiqiang Yue and Neng Li, Heteroatom-doped carbon dots: synthesis, characterization, properties, photoluminescence mechanism and biological applications, J. Mater. Chem. B, 2016, 4, 7204-7219 影响因子4.776, 中科院1区
114 Luis Miguel Azofra, Neng Li, Douglas R. MacFarlane and Chenghua Sun*, Promising prospects for 2D d2–d4 M3C2 transition metal carbides (MXenes) in N2 capture and conversion into ammonia, Energy Environ. Sci., 2016, 9, 2545-2549 (理论研究贡献)
115 Lu Ren, Yuanzhi Li*, Jingtao Hou, Jilin Bai, Mingyang Mao, Min Zeng, Xiujian Zhao, Neng Li, The pivotal effect of the interaction between reactant and anatase TiO2 nanosheets with exposed {0 0 1} facets on photocatalysis for the photocatalytic purification of VOCs, Applied Catalysis B: Environmental 2016, 181, 625-634 (理论计算贡献)
116 Mingyang Mao, Haiqin Lv, Yuanzhi Li*, Yi Yang, Min Zeng, Neng Li, and Xiujian Zhao, Metal Support Interaction in Pt Nanoparticles Partially Confined in the Mesopores of Microsized Mesoporous CeO2 for Highly Efficient Purification of Volatile Organic Compounds, ACS Catal. 2016, 6, 1, 418-427 (理论计算贡献)
117 Jing Wang, Chao Liu, Gaoke Zhang, Jun Xie*, Neng Li, Jianjun Han, Xiujian Zhao, Thermal expansion and crysallization of Magnesium Aluminosilicate Glasses Doped with Neodymium ions, Phys. Chem. Glasses: Eur. J. Glass Sci. Technol. B, 2016, 57 (3), 153–157
118 Altaf Hussain, Salman Mehmood, Nasir Rasool, Neng Li, and C. C. Dharmawardhana, Electronic Structure, Mechanical and Optical Properties of TiAl3 (L12 & D022) via First-Principles Calculations, Chinese Journal of Physics 54, 2016, 319-328
2015
119 Shouqin Tian, Yupeng Zhang, Dawen Zeng*, Hao Wang, Neng Li*, Changsheng Xie, Chunxu Pan and Xiujian Zhao, Surface doping of La ions into ZnO nanocrystals to lower the optimal working temperature for HCHO sensing properties, Phys. Chem. Chem. Phys., 2015, 17, 27437-27445
120 Hai Hu, Xinzhu Chen, Xiujian Zhao, Neng Li*, Ab initio molecular dynamics study on thermal expansion of solid-solution compounds in MAX phase, Computational Materials Science, 2015, 103, 200-203
121 Quan Xu, Yunzu Lv, Chenbo Dong, Theruvakkattil Sreenivasan Sreeprased, Ang Tian, Hangzhou Zhang, Ying Tang, Zhiqiang Yu*, and Neng Li*, Three-dimensional micro/nanoscale architectures: fabrication and applications, Nanoscale, 2015, 7, 10883-10895
122 Quan Xu, Yao Liu, Chun Gao, Jianfei Wei, Hongjun Zhou, Yusheng Chen, Chenbo Dong, Theruvakkattil Sreenivasan Sreeprasad, Neng Li* and Zhenhai Xia*, Synthesis, mechanistic investigation, and application of photoluminescent sulfur and nitrogen co-doped carbon dots, J. Mater. Chem. C, 2015, 3, 9885-9893
123 Keng Xu, Neng Li, Dawen Zeng*, Shouqin Tian, Shasha Zhang, Die Hu, and Changsheng Xie, Interface Bonds Determined Gas-Sensing of SnO2–SnS2 Hybrids to Ammonia at Room Temperature, ACS Appl. Mater. Interfaces 2015, 7, 21, 11359-11368 (理论计算贡献)
124 Shouqin Tian, Neng Li, Dawen Zeng*, Haitao Li, Gen Tang, Aimin Pang, Changsheng Xie and Xiujian Zhao, Hierarchical ZnO hollow microspheres with exposed (001) facets as promising catalysts for the thermal decomposition of ammonium perchlorate, CrystEngComm, 2015, 17, 8689-8696 (理论计算贡献)
125 Santosh Kumar Verma*, Kallol K.Ghosh, Rameshwari Verma, Wanchun Xiang, Neng Li, Xiujian Zhao, Surface, conformational and catalytic activity approach of α-chymotrypsin and trypsin in micellar media, Colloids and Surfaces A, 2015, 470, 188-193 (理论贡献)
2014
126 Neng Li, Ridwan Sakidja, Wai-Yim Ching, Ab initio study on the adsorption mechanism of oxygen on Cr2AlC (0001) surface, Applied Surface Science, 2014, 315, 45-54
127 Neng Li, Wai-Yim Ching, Structural, electronic and optical properties of a large random network model of amorphous SiO2 glass, Journal of Non-Crystalline Solids, 2014, 383, 28-32
128 Neng Li, Ridwan Sakidja, Sitaram Aryal and Wai-Yim Ching*, Densification of a continuous random network model of amorphous SiO2 glass, Phys. Chem. Chem. Phys., 2014, 16, 1500-1514
129 Neng Li, Kai Lun Yao, Xiu Jian Zhao, Ab initio study of structural and electronic properties of ternary alkali-metal-based semimetal compounds, Computational Materials Science, 2014, 91, 231-234
130 Hai Hu, Neng Li*, Haizheng Tao#, First Principles Simulation of Structure and Properties of amorphous SiO2 and AlPO4 glass, Oct. 9-12, 2014
131 Neng Li, Xiaobo Chen, Band engineering of TiO2 Rutile (101)/Anatase (001) Interfaces, The 4th International Symposium on Solar Fuels and Solar Cells (SFSC 2014), Oct. 21-24, 2014.
2013
132 Neng Li, Yuxiang Mo, and Wai-Yim Ching, The bonding, charge distribution, spin ordering, optical, and elastic properties of four MAX phases Cr2AX (A = Al or Ge, X = C or N): From density functional theory study, J. Appl. Phys. 2013, 114 (18), 183503
133 Neng Li, C. C. Dharmawardhana, K. L. Yao, W. Y. Ching, Theoretical characterization on intrinsic ferrimagnetic phase in nanoscale laminated Cr2GeC, Solid State Communications, 2013, 174, 43-45
134 Neng Li*, Ridwan Sakidja, and Wai-Yim Ching, Oxidation of Cr2AlC (0001): Insights from ab initio calculations, JOM-US, 2013, 65 (11), 1487-1491
135 Neng Li, Kai-Lun Yao, Guo-Hua Zhong, Wai-Ying Ching, Half-metallicity in the ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6]·H2O: Ab initio study, Solid State Communications, 2013, 158, 61-64
136 Ting Xia, Neng Li, Yuliang Zhang, Michael B. Kruger, James Murowchick, Annabella Selloni and Xiaobo Chen*, Directional Heat Dissipation across the Interface in Anatase–Rutile Nanocomposites, ACS Appl. Mater. Interfaces 2013, 5, 20, 9883-9890 (负责理论计算)
137 Neng Li, Ridwan Sakidja, Wai-Yim Ching, AIMD Study on Selective Oxidation of MAX Phase, 57th Midwest Solid State Conference, Sept.28-30, 2013.
138 Neng Li, Wai-Yim Ching, Surface structure and oxygen molecular adsorption on Cr2AlC (0001): Density functional characterization. ICACC'13: 37th International Conference and Expo on Advanced Ceramics and Composites, Jan. 2013.
2012
139 Neng Li, Kai-Lun Yao, The electronic and optical properties of carbon-doped SrTiO3: Density functional characterization, AIP Advances, 2012, 2 (3), 032135
140 Neng Li, and Wai-Yim Ching, Structural, electronic and optical properties of a large random network model of amorphous SiO2 glass. XIII-PNCS on the Physics of Non-Crystalline Solids. (Sept. 2012).
2011
141 Neng Li, Kai-Lun Yao, Liang Li, Zhao-Yu Sun, Guo-Ying Gao, Lin Zhu, Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO2, J. Appl. Phys.2011, 110, 073513.
142 Neng Li, Kai-Lun Yao, Zhao-Yu Sun, Lin Zhu, Guo-Ying Gao, The half-metallic properties and geometrical structures of cubic BaMnO3 and BaTiO3/BaMnO3 superlattice, J. Appl. Phys., 2011, 109 (8), 083715.
143 Neng Li, Kai-Lun Yao*, Guo-Ying Gao, Zhao-Yu Sun and Liang Li, Charge, orbital and spin ordering in multiferroic BiMn2O5: density functional theory calculations, Phys. Chem. Chem. Phys., 2011, 13 (20), 9418-9424
144 G Y Gao, K L Yao and Neng Li, Preserving the half-metallicity at the surfaces of rocksalt CaN and SrN and the interfaces of CaN/InN and SrN/GaP: a density functional study, Journal of Physics: Condensed Matter,2011, 23 (7), 075501.
145 Sun, Z.-Y.; Li, L.; Neng Li.; Yao, K.-L.; Liu, J.; Luo, B.; Du, G.-H.; Li, H.-N, Quantum correlation and phase transitions in a two-dimensional doubly decorated Ising-Heisenberg model, Euro Physics Letter, 2011, 95 (3), 30008.
146 Neng Li, Guohua Zhong, and Haiqing Li, The half-metallic properties of the soft ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6]H2O : A first principle study, The 56th Annual Conference on Magnetism & Magnetic Materials, Atlanta, Georgia, USA, 2011, 14-18 November
2010
147 Neng Li, Kai-Lun Yao, Guo-Ying Gao, Lin Zhu, and Yu-Ying Wu, Surface properties of the (001) surface of cubic BaMnO3: A density functional theory study, J. Appl. Phys., 2010, 107 (12), 123704.
148 Zhao-Yu Sun, Liang Li, Kai-Lun Yao, Gui-Huan Du, Ji-Wei Liu, Bo Luo, Neng Li, and Hai-Na Li, Quantum discord in matrix product systems, Physical Review A, 2010, 82 (3), 032310.