2024年论文
1. Zhou Huang, Fuhua Li, Yongduo Liu, Siguo Chen, Zidong Wei*, Qing Tang* The role of nitrogen sources and hydrogen adsorption on the dynamic stability of Fe–N–C catalysts in oxygen reduction reaction. Chemical Science 2024 15 (3),1132-1142
2. Guocheng Deng, Taeyoung Ki, Xiaolin Liu, Yuping Chen, Kangjae Lee, Seungwoo Yoo, Qing Tang*, Megalamane S Bootharaju*, Taeghwan Hyeon* Tailoring the subshell and electronic structure of an atomically precise AuAg alloy nanocluster. Chemical Communications
3. Lipan Luo, Zhou Huang, Qing Tang* Computational screening of a promising diatomic catalyst for CO2 electroreduction to syngas. Journal of Materials Chemistry A 12 (9), 5145-5155
4. Huidong Li, Yuping Chen, Qing Tang* Surface Termination (‐O,‐F or‐OH) and Metal Doping on the HER Activity of Mo2CTx MXene. ChemPhysChem e202400255 (Invited)
5. Pifang Wan, Yuping Chen, Qing Tang* Electrochemical Stability of MXenes in Water Based on Constant Potential AIMD Simulations. ChemPhysChem e202400325 (Invited)
6. Yao Lei, Qianghong Zhao, Zhou Huang, Yusha Huang, Min Wang, Lianzhe Hu, Qing Tang*, Zhining Xia* Boron nanosheets as a phosphatase mimicking nanozyme with ultrahigh catalytic activity for prodrug-based cancer therapy. Chemical Communications 60 (26), 3523-3526
7. Xiao‐Jing Zhang, Meng‐En Sun, Fang Sun, Yan Jin, Xi‐Yan Dong, Si Li, Hai‐Yang Li, Gaosong Chen, Yongping Fu, Yonggang Wang, Qing Tang, Yuchen Wu, Lei Jiang, Shuang‐Quan Zang* Vibration‐Dependent Dual‐Phosphorescent Cu4 Nanocluster with Remarkable Piezochromic Behavior. Angewandte Chemie International Edition e202401724
2023年论文
1. Haiyan Huang, Tianyi Yang, Fang Sun, Zhaohui Liu, Qing Tang*, Lingmei Liu, Yu Han, Jianfeng Huang* Leveraging Pd(100)/SnO2 interfaces for highly efficient electrochemical formic acid oxidation. Nanoscale 2023 15 (5), 2122-2133
2. Jing Sun, Fang Sun, Jiaqi Tang, Xiongkai Tang, Qingyuan Wu, Rong Huo, Ayisha He, Xueli Sun, Qing Tang*, Hui Shen*. Carboxylate engineering for manipulating the optical and assembly properties of copper clusters. Inorganic Chemistry Frontiers 2023 10 (9), 2618-2625
3. Leyi Chen, Fang Sun, Quanli Shen, Lei Wang, Yonggang Liu, Hao Fan, Qing Tang*, Zhenghua Tang* Structure, optical properties, and catalytic applications of alkynyl-protected M4Rh2 (M = Ag/Au) nanoclusters with atomic precision: a comparative study. Dalton Transactions
4. Fang Sun, Lubing Qin, Zhenghua Tang*, Guocheng Deng, Megalamane S Bootharaju, Zidong Wei*, Qing Tang*, Taeghwan Hyeon -SR Removal or –R Removal? A Mechanistic Revisit on the Puzzle of Ligand Etching of Au25(SR)18 Nanoclusters during Electrocatalysis. Chemical Science 2023 14 (38), 10532-10546
5. Zhiyong Fang, Fuhua Li, Mei Wang, Fusheng Li, Xiujuan Wu, Ke Fan, Qing Tang*, Licheng Sun, Peili Zhang* Selective electrocatalytic upgrading of lignin to aryl aldehydes and carboxylic acids over dodecyl sulfate-intercalated CoS nanocones. Applied Catalysis B: Environmental 2023 323, 122149
6. Fang Sun, Qing Tang*, De‐en Jiang* Atomically Precise Metal Nanoclusters as Electrocatalysts. Atomically Precise Nanochemistry 195-225
7. Wenyu Zhou, Yuping Chen, Luxi Tan*, Qing Tang*, Chenyang Lu, Lichun Dong* Understanding the C-H activation of methane over single-atom alloy catalysts by density functional theory calculations. AIChE Journal 2023 e18118
8. Yuping Chen, Fang Sun, Qing Tang* Computational Insights and Design of Promising Ultrathin PdM Bimetallenes for Oxygen Reduction Electrocatalysis. Small Methods 2023 2300276
9. Pifang Wan, Qing Tang* The Effect of Constant Potential on the Hydrogen Evolution Reaction Activity of M2CO2 and M2NO2 MXenes. ChemPhysChem 2023 e202200871
10. Guanyu Ma, Fang Sun, Liang Qiao, Quanli Shen, Lei Wang, Qing Tang*, Zhenghua Tang* Atomically precise alkynyl-protected Ag20Cu12 nanocluster: Structure analysis and electrocatalytic performance toward nitrate reduction for NH3 synthesis. Nano Research 2023 16 (8), 10867-10872.
11. Lubing Qin, Fang Sun, Zhiheng Gong, Guanyu Ma, Yan Chen, Qing Tang*, Liang Qiao, Renheng Wang*, Zhao-Qing Liu, Zhenghua Tang* Electrochemical NO3– Reduction Catalyzed by Atomically Precise Ag30Pd4 Bimetallic Nanocluster: Synergistic Catalysis or Tandem Catalysis? ACS Nano 2023 17 (13), 12747-12758
12. Xiaoxuan Xu, Ying Liu, Fang Sun, Yanyuan Jia, Qinghua Xu, Jiaqi Tang, Zhenlang Xie, Jing Sun, Simin Li, Qing Tang*, Shuo Guo*, Hui Shen*, Nanfeng Zheng Array-Based Clusters of Copper with Largely Exposed Metal Sites for Promoting Catalysis
Chemistry of Materials 2023 35 (18), 7588-7596
13. Pifang Wan, Qing Tang* Theoretical progress of MXenes as electrocatalysts for the hydrogen evolution reaction Materials Chemistry Frontiers
14. Shiyu Ji, Di Peng, Fang Sun, Qing You, Runguo Wang, Nan Yan, Yue Zhou, Weiyi Wang, Qing Tang*, Nan Xia*, Zhi Zeng*, Zhikun Wu* Coexistent, Competing Tunnelling, and Hopping Charge Transport in Compressed Metal Nanocluster Crystals. Journal of the American Chemical Society 2023 145 (44) 24012-24020.
15. Qiao Zhang, Hsin Jung Tsai, Fuhua Li, Zhiming Wei, Qinye He, Jie Ding, Yuhang Liu, Zih‐Yi Lin, Xiaoju Yang, Zhaoyang Chen, Fangxin Hu, Xuan Yang, Qing Tang*, Hong Bin Yang*, Sung‐Fu Hung*, Yueming Zhai* Boosting the Proton‐coupled Electron Transfer via Fe−P Atomic Pair for Enhanced Electrochemical CO2 Reduction Angewandte Chemie 2023 135 (44), e202311550
16. Zhimin Chen, Fang Sun, Qing Tang* Thermal Stability and Electronic Properties of N-Heterocyclic Carbene-Protected Au13 Nanocluster and Phosphine-Protected Analogues. Journal of Physical Chemistry Letters 2023 14, 10648-10656
17. Guocheng Deng, Hyewon Yun, Megalamane S Bootharaju*, Fang Sun, Kangjae Lee, Xiaolin Liu, Seungwoo Yoo, Qing Tang*, Yun Jeong Hwang*, Taeghwan Hyeon* Copper Doping Boosts Electrocatalytic CO2 Reduction of Atomically Precise Gold Nanoclusters. Journal of the American Chemical Society 2023 145 (50), 27407-27414
18. Hoeun Seong, Kiyoung Chang, Fang Sun, Sojung Lee, Sang Myeong Han, Yujin Kim, Chang Hyuck Choi, Qing Tang*, Dongil Lee* ClAg14(C≡CtBu)12 Nanoclusters as Efficient and Selective Electrocatalysts Toward Industrially Relevant CO2 Conversion. Advanced Science, 2023, 2306089
19. Seungwoo Yoo, Suhwan Yoo, Guocheng Deng, Fang Sun, Kangjae Lee, Hyunsung Jang, Chan Woo Lee, Xiaolin Liu, Junghwan Jang, Qing Tang*, Yun Jeong Hwang*, Taeghwan Hyeon*, Megalamane S Bootharaju* Nanocluster Surface Microenvironment Modulates Electrocatalytic CO2 Reduction. Advanced Materials, 2023, 2313032
2022年论文
1. Guocheng Deng, Jimin Kim, Megalamane S Bootharaju*, Fang Sun, Kangjae Lee, Qing Tang*, Yun Jeong Hwang*, Taeghwan Hyeon* Body-Centered-Cubic-Kernelled Ag15Cu6 Nanocluster with Alkynyl Protection: Synthesis, Total Structure, and CO2 Electroreduction. Journal of American Chemical Society
2. Zhou Huang, Qing Tang* Axial Coordination Effect on the Oxygen Reduction Reaction of FeN4 Electrocatalysts Based on Grand Canonical Density Functional Theory. Journal of Physical Chemistry C
3. Leyi Chen, Fang Sun, Quanli Shen, Lubing Qin, Yonggang Liu, Liang Qiao, Qing Tang*, Likai Wang, Zhenghua Tang* Homoleptic alkynyl-protected Ag32 nanocluster with atomic precision: Probing the ligand effect toward CO2 electroreduction and 4-nitrophenol reduction. Nano Research
4. Fang Sun, Fuhua Li, Qing Tang* Spin State as a Participator for Demetalation Durability and Activity of Fe–N–C Electrocatalysts. Journal of Physical Chemistry C
5. Fang Sun, Qing Tang*, De-en Jiang* Theoretical Advances in Understanding and Designing the Active Sites for Hydrogen Evolution Reaction. ACS Catalysis
6. Yuping Chen, Fang Sun, Qing Tang* The active structure of p-block SnNC single-atom electrocatalysts for the oxygen reduction reaction. Physical Chemistry Chemical Physics
7. Mengbo Ma, Qing Tang Axial coordination modification of M–N4 single-atom catalysts to regulate the electrocatalytic CO2 reduction reaction. Journal of Materials Chemistry C
8. Xiaoshuang Ma, Fang Sun, Lubing Qin, Yonggang Liu, Xiongwu Kang, Likai Wang, De-en Jiang, Qing Tang*, Zhenghua Tang* Electrochemical CO2 reduction catalyzed by atomically precise alkynyl-protected Au7Ag8, Ag9Cu6, and Au2Ag8Cu5 nanoclusters: probing the effect of multi-metal core on selectivity. Chemical Science
9. Fuhua Li, Huaqiang Wen, Qing Tang* Reaction mechanism and kinetics for carbon dioxide reduction on iron–nickel Bi-atom catalysts. Journal of Materials Chemistry A
10. Yun Tang, Fang Sun, Xiaoshuang Ma, Lubing Qin, Guanyu Ma, Qing Tang*, Zhenghua Tang* Alkynyl and halogen co-protected (AuAg)44 nanoclusters: a comparative study on their optical absorbance, structure, and hydrogen evolution performance. Dalton Transactions
2021年论文
1. Lubing Qin, Fang Sun, Xiaoshuang Ma, Guanyu Ma, Yun Tang, Likai Wang, Qing Tang*, Rongchao Jin*, Zhenghua Tang* Homoleptic Alkynyl-Protected Ag15 Nanocluster with Atomic Precision: Structural Analysis and Electrocatalytic Performance toward CO2 Reduction. Angewandte Chemie International Edition
2. Yuping Chen, Shufang Tian, Qing Tang* First-Principles Studies on Electrocatalytic Activity of Novel Two-Dimensional MA2Z4 Monolayers toward Oxygen Reduction Reaction. Journal of Physical Chemistry C
3. Wenyu Zhou, Lichun Dong, Luxi Tan, Qing Tang* Understanding the air stability of defective MoS2 and the oxidation effect on the surface HER activity. Journal of Physics: Condensed Matter
4. Jiu Chen, Qing Tang* The Versatile Electronic, Magnetic and Photo-Electro Catalytic Activity of a New 2D MA2Z4 Family**. Chemistry-A European Journal
5. Fang Sun, Chaofang Deng, Shufang Tian, Qing Tang* Oxygen Electrocatalysis by [Au25(SR)18]: Charge, Doping, and Ligand Removal Effect. ACS Catalysis
6. Fang Sun, Qing Tang* The ligand effect on the interface structures and electrocatalytic applications of atomically precise metal nanoclusters. Nanotechnology
7. Jinyu Gan, Fuhua Li, Qing Tang* Vacancies-Engineered M2CO2 MXene as an Efficient Hydrogen Evolution Reaction Electrocatalyst. Journal of Physical Chemistry Letters
8. Wenyu Zhou, Lichun Dong, Luxi Tan*, Qing Tang* Enhancing the Surface Reactivity of Black Phosphorus on Hydrogen Evolution by Covalent Chemistry. Journal of Physical Chemistry C
9. Chaofang Deng, Jiu Chen, Qing Tang* Theoretical Investigation on the Adsorption and Interface Bonding between N-Heterocyclic Carbenes and Metal Surfaces. Journal of Physical Chemistry C
10. Wenyu Zhou, Lichun Dong, Luxi Tan, Qing Tang First-principles study of sulfur vacancy concentration effect on the electronic structures and hydrogen evolution reaction of MoS2. Nanotechnology
11. Mengbo Ma, Fuhua Li, Qing Tang* Coordination environment engineering on nickel single-atom catalysts for CO2 electroreduction. Nanoscale
12. Shufang Tian, Qing Tang* Activating transition metal dichalcogenide monolayers as efficient electrocatalysts for the oxygen reduction reaction via single atom doping. Journal of Materials Chemistry C
13. Fuhua Li, Qing Tang* Understanding trends in the activity and selectivity of bi-atom catalysts for the electrochemical reduction of carbon dioxide. Journal of Materials Chemistry A
14. Fang Sun, Qing Tang* First-principles exploration of the versatile configurations at an alkynyl-protected coinage metal(111) interface. Nanoscale
2020年论文
1. Jinyu Gan, Fuhua Li, Yurong Tang, Qing Tang* Theoretical Study of Transition-Metal-Modified Mo2CO2 MXene as a Catalyst for the Hydrogen Evolution Reaction. ChemSusChem
2. Shufang Tian, Chaofang Deng, Yurong Tang, Qing Tang* Effect of Adatom Doping on the Electrochemical Performance of 1T′-MoS2 for Oxygen Reduction Reactions. Journal of Physical Chemistry C
3. Fuhua Li, Qing Tang* The critical role of hydride (H−) ligands in electrocatalytic CO2 reduction to HCOOH by [Cu25H22(PH3)12]Cl nanocluster. Journal of Catalysis
4. Fuhua Li, Qing Tang* Modulating the Electronic Structure and In-Plane Activity of Two-Dimensional Transition Metal Dichalcogenide (MoS2, TaS2, NbS2) Monolayers by Interfacial Engineering. Journal of Physical Chemistry C
5. Chaofang Deng, Yang Su, Fuhua Li, Weifeng Shen, Zhongfang Chen, Qing Tang* Understanding activity origin for the oxygen reduction reaction on bi-atom catalysts by DFT studies and machine-learning. Journal of Materials Chemistry A
6. Jiu Chen, Fuhua Li, Yurong Tang, Qing Tang* Tuning the phase stability and surface HER activity of 1T′-MoS2 by covalent chemical functionalization. Journal of Materials Chemistry C
2019年论文
1. Qing Tang*, De‐en Jiang* Phosphorene-Supported Transition-Metal Dimer for Effective N2 Electroreduction. ChemPhysChem 20 (22), 3141-3146
2. Fuhua Li, Qing Tang* First-Principles Calculations of TiB MBene Monolayers for Hydrogen Evolution ACS Applied Nano Materials 2 (11), 7220-7229
3. Chaofang Deng, Fuhua Li, Qing Tang* Electrocatalytic Oxygen Reduction Reaction over the Au22(L8)6 Nanocluster with Promising Activity: A DFT Study. Journal of Physical Chemistry C 123 (44), 27116-27123
4. Qing Tang* Enhanced 1T′-Phase Stabilization and Chemical Reactivity in a MoTe2 Monolayer through Contact with a 2D Ca2N Electride. ChemPhysChem 20 (4), 595-601
5. Fuhua Li, Qing Tang* A di-boron pair doped MoS2 (B2@MoS2) single-layer shows superior catalytic performance for electrochemical nitrogen activation and reduction. Nanoscale 11 (40), 18769-18778
6. Fuhua Li, Qing Tang* Understanding the role of functional groups of thiolate ligands in electrochemical CO2 reduction over Au(111) from first-principles. Journal of Materials Chemistry A 7 (34), 19872-19880
7. Fuhua Li, Qing Tang* An Au22(L8)6 nanocluster with in situ uncoordinated Au as a highly active catalyst for O2 activation and CO oxidation. Physical Chemistry Chemical Physics 21 (36), 20144-20150
2018年论文
1. Qing Tang, Guoxiang Hu, Victor Fung, De-en Jiang Insights into Interfaces, Stability, Electronic Properties, and Catalytic Activities of Atomically Precise Metal Nanoclusters from First Principles. Accounts of Chemical Research 51 (11), 2793-2802
2. Qing Tang* Tuning the phase stability of Mo-based TMD monolayers through coupled vacancy defects and lattice strain. Journal of Materials Chemistry C 6 (35), 9561-9568
加入重庆大学之前的论文
2018年
1. Minseok Kim, Qing Tang, Alam Venugopal Narendra Kumar, Kyuju Kwak, Woojun Choi, De-en Jiang, Dongil Lee Dopant-Dependent Electronic Structures Observed for M2Au36(SC6H13)24 Clusters (M = Pt, Pd). Journal of Physical Chemistry Letters 9 (5), 982-989
2. Kyuju Kwak, Woojun Choi, Qing Tang, De-en Jiang, Dongil Lee Rationally designed metal nanocluster for electrocatalytic hydrogen production from water. Journal of Materials Chemistry A 6 (40), 19495-19501
2017年
1. Qing Tang, De-en Jiang Comprehensive View of the Ligand–Gold Interface from First Principles. Chemistry of Materials 29 (16), 6908-6915
2. Xian-Kai Wan, Xiao-Ling Cheng, Qing Tang, Ying-Zi Han, Guoxiang Hu, De-en Jiang, Quan-Ming Wang Atomically Precise Bimetallic Au19Cu30 Nanocluster with an Icosidodecahedral Cu30 Shell and an Alkynyl–Cu Interface. Journal of the American Chemical Society 139 (28), 9451-9454
3. Qing Tang, Yongjin Lee, Dai-Ying Li, Woojun Choi, CW Liu, Dongil Lee, De-en Jiang Lattice-Hydride Mechanism in Electrocatalytic CO2 Reduction by Structurally Precise Copper-Hydride Nanoclusters. Journal of the American Chemical Society 139 (28), 9728-9736
4. Guoxiang Hu, Qing Tang, Dongil Lee, Zili Wu, De-en Jiang Metallic Hydrogen in Atomically Precise Gold Nanoclusters. Chemistry of Materials 29 (11), 4840-4847
5. Wilberth Narvaez, Chad Priest, Qing Tang, De-en Jiang Hydrogen functionalisation of transition metal dichalcogenide monolayers from first principles. Molecular Simulation 43 (5-6), 379-383
6. Kyuju Kwak, Woojun Choi, Qing Tang, Minseok Kim, Yongjin Lee, De-en Jiang, Dongil Lee A molecule-like PtAu24(SC6H13)18 nanocluster as an electrocatalyst for hydrogen production. Nature communications 8 (1), 14723
7. Shang-Fu Yuan, Pei Li, Qing Tang, Xian-Kai Wan, Zi-Ang Nan, De-en Jiang, Quan-Ming Wang Alkynyl-protected silver nanoclusters featuring an anticuboctahedral kernel. Nanoscale 9 (32), 11405-11409
2016年
1. Qing Tang, De-en Jiang Computational Insight into the Covalent Organic–Inorganic Interface. Chemistry of Materials 28 (17), 5976-5988
2. Qing Tang, De-en Jiang Mechanism of Hydrogen Evolution Reaction on 1T-MoS2 from First Principles. ACS Catalysis 6 (8), 4953-4961
3. Yuxiang Chen, Chong Liu, Qing Tang, Chenjie Zeng, Tatsuya Higaki, Anindita Das, De-en Jiang, Nathaniel L Rosi, Rongchao Jin Isomerism in Au28(SR)20 Nanocluster and Stable Structures. Journal of the American Chemical Society 138 (5), 1482-1485
4. Guoxiang Hu, Qing Tang, De-en Jiang CoP for hydrogen evolution: implications from hydrogen adsorption. Physical Chemistry Chemical Physics 18 (34), 23864-23871
5. Nan Jiang, Qing Tang, Meili Sheng, Bo You, De-en Jiang, Yujie Sun Nickel sulfides for electrocatalytic hydrogen evolution under alkaline conditions: a case study of crystalline NiS, NiS2, and Ni3S2 nanoparticles. Catalysis Science & Technology 6 (4), 1077-1084
2015年
1. Lina G AbdulHalim, Megalamane S Bootharaju, Qing Tang, Silvano Del Gobbo, Rasha G AbdulHalim, Mohamed Eddaoudi, De-en Jiang, Osman M Bakr Ag29(BDT)12(TPP)4: A Tetravalent Nanocluster. Journal of the American Chemical Society 137 (37), 11970-11975
2. Qing Tang, Zhen Zhou, Zhongfang Chen Innovation and discovery of graphene-like materials via density-functional theory computations. Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (5), 360-379
3. Kyuju Kwak, Qing Tang, Minseok Kim, De-en Jiang, Dongil Lee Interconversion between Superatomic 6-Electron and 8-Electron Configurations of M@Au24(SR)18 Clusters (M = Pd, Pt). Journal of the American Chemical Society 137 (33), 10833-10840
4. Chad Priest, Qing Tang, De-en Jiang Structural Evolution of Tcn (n = 4–20) Clusters from First-Principles Global Minimization. The Journal of Physical Chemistry A 119 (33), 8892-8897
5. J Daniel Padmos, Michelle L Personick, Qing Tang, Paul N Duchesne, De-en Jiang, Chad A Mirkin, Peng Zhang The surface structure of silver-coated gold nanocrystals and its influence on shape control. Nature communications 6 (1), 7664
6. Qing Tang, De-en Jiang Stabilization and Band-Gap Tuning of the 1T-MoS2 Monolayer by Covalent Functionalization. Chemistry of Materials 27 (10), 3743-3748 (Editor's Choice)
7. Qing Tang, De-en Jiang Insights into the PhC≡C/Au Interface. The Journal of Physical Chemistry C 119 (20), 10804-10810
8. Xian‐Kai Wan, Shang‐Fu Yuan, Qing Tang, De‐en Jiang, Quan‐Ming Wang Alkynyl-Protected Au23 Nanocluster: A 12-Electron System. Angewandte Chemie International Edition 54 (20), 5977-5980
9. Zhao Yuan, Qing Tang, Kesavapillai Sreenath, J Tyler Simmons, Ali H Younes, De‐en Jiang, Lei Zhu Absorption and Emission Sensitivity of 2-(2′-Hydroxyphenyl)benzoxazole to Solvents and Impurities. Photochemistry and Photobiology 91 (3), 586-598
10. Yu Jing, Qing Tang, Peng He, Zhen Zhou, Panwen Shen Small molecules make big differences: molecular doping effects on electronic and optical properties of phosphorene. Nanotechnology 26 (9), 095201
11. Qing Tang, De-en Jiang Revisiting Structural Models for Au18(SR)14. The Journal of Physical Chemistry C 119 (5), 2904-2909
12. Xian-Kai Wan, Qing Tang, Shang-Fu Yuan, De-en Jiang, Quan-Ming Wang Au19 Nanocluster Featuring a V-Shaped Alkynyl–Gold Motif. Journal of the American Chemical Society 137 (2), 652-655
13. Qing Tang, De-en Jiang Structure Prediction by Density Functional Theory Calculations. Frontiers of Nanoscience 9, 161-187
14. Qing Tang, Runhai Ouyang, Ziqi Tian, De-en Jiang The ligand effect on the isomer stability of Au24(SR)20 clusters. Nanoscale 7 (6), 2225-2229
15. Xu Zhang, Zhinan Ma, Xudong Zhao, Qing Tang, Zhen Zhou Computational studies on structural and electronic properties of functionalized MXene monolayers and nanotubes. Journal of Materials Chemistry A 3 (9), 4960-4966
2014年
1. De-en Jiang, Michael Kühn, Qing Tang, Florian Weigend Superatomic Orbitals under Spin–Orbit Coupling. The Journal of Physical Chemistry Letters 5 (19), 3286-3289
2. Daniel M Chevrier, Xiangming Meng, Qing Tang, De-en Jiang, Manzhou Zhu, Amares Chatt, Peng Zhang Impact of the Selenolate Ligand on the Bonding Behavior of Au25 Nanoclusters. The Journal of Physical Chemistry C 118 (37), 21730-21737
3. Zhinan Ma, Xudong Zhao, Qing Tang, Zhen Zhou Computational prediction of experimentally possible g-C3N3 monolayer as hydrogen purification membrane. International journal of hydrogen energy 39 (10), 5037-5042
4. Zhinan Ma, Zhenpeng Hu, Xudong Zhao, Qing Tang, Dihua Wu, Zhen Zhou, Lixin Zhang Tunable Band Structures of Heterostructured Bilayers with Transition-Metal Dichalcogenide and MXene Monolayer. The Journal of Physical Chemistry C 118 (10), 5593-5599
5. Jie Bao, Dihua Wu, Qing Tang, Zhinan Ma, Zhen Zhou First-principles investigations on delithiation of Li4NiTeO6. Physical Chemistry Chemical Physics 16 (30), 16145-16149
6. Qing Tang, Jie Bao, Yafei Li, Zhen Zhou, Zhongfang Chen Tuning band gaps of BN nanosheets and nanoribbons via interfacial dihalogen bonding and external electric field. Nanoscale 6 (15), 8624-8634
2013年
1. Qing Tang, Zhen Zhou Graphene-analogous low-dimensional materials. Progress in materials science 58 (8), 1244-1315
2. Qing Tang, Zhen Zhou Electronic Properties of π-Conjugated Nickel Bis(dithiolene) Network and Its Addition Reactivity with Ethylene. The Journal of Physical Chemistry C 117 (27), 14125-14129
3. Pengtao Xu, Qing Tang, Zhen Zhou Structural and electronic properties of graphene–ZnO interfaces: dispersion-corrected density functional theory investigations. Nanotechnology 24 (30), 305401
4. Qing Tang, Zhen Zhou, Panwen Shen, Zhongfang Chen Band Gap Engineering of BN Sheets by Interlayer Dihydrogen Bonding and Electric Field Control. ChemPhysChem 14 (9), 1787-1792
5. Haijun Zhang, Dihua Wu, Qing Tang, Lu Liu, Zhen Zhou ZnO–GaN heterostructured nanosheets for solar energy harvesting: computational studies based on hybrid density functional theory. Journal of Materials Chemistry A 1 (6), 2231-2237
6. Qing Tang, Zhen Zhou, Zhongfang Chen Graphene-related nanomaterials: tuning properties by functionalization. Nanoscale 5 (11), 4541-4583
2012年
1. Qing Tang, Zhen Zhou, Panwen Shen Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of Ti3C2 and Ti3C2X2 (X = F, OH) Monolayer. Journal of the American Chemical Society 134 (40), 16909-16916
2. Y Zhang, XJ Zhang, Q Tang, DH Wu, Z Zhou Core–shell VPO4/C anode materials for Li ion batteries: Computational investigation and sol–gel synthesis. Journal of alloys and compounds 522, 167-171
3. Qing Tang, Zhen Zhou, Zhongfang Chen Single-Layer [Cu2Br(IN)2]n Coordination Polymer (CP): Electronic and Magnetic Properties, and Implication for Molecular Sensors. The Journal of Physical Chemistry C 116 (6), 4119-4125
4. Haijun Zhang, Yafei Li, Qing Tang, Lu Liu, Zhen Zhou First-principles studies on structural and electronic properties of GaN–AlN heterostructure nanowires. Nanoscale 4 (4), 1078-1084
2011年
1. Ming Li, Qing Tang, Zhen Zhou Recent Computational Explorations for Nanostructured Hydrogen Storage Materials. Journal of Computational and Theoretical Nanoscience 8 (12), 2398-2405
2. Qing Tang, Zhen Zhou, Zhongfang Chen Molecular Charge Transfer: A Simple and Effective Route To Engineer the Band Structures of BN Nanosheets and Nanoribbons. The Journal of Physical Chemistry C 115 (38), 18531-18537
3. Yao Cui, Qing Tang, Yafei Li, Zhen Zhou Electronic and Magnetic Properties of BN Monolayer Sheets with H- or O-Saturated Vacancies: A First-Principles Study. Journal of Computational and Theoretical Nanoscience 8 (8), 1513-1519
4. Qing Tang, Fengyu Li, Zhen Zhou, Zhongfang Chen Versatile Electronic and Magnetic Properties of Corrugated V2O5 Two-Dimensional Crystal and Its Derived One-Dimensional Nanoribbons: A Computational Exploration. The Journal of Physical Chemistry C 115 (24), 11983-11990
5. Qing Tang, Yao Cui, Yafei Li, Zhen Zhou, Zhongfang Chen How Do Surface and Edge Effects Alter the Electronic Properties of GaN Nanoribbons? The Journal of Physical Chemistry C 115 (5), 1724-1731
2010年
1. Qing Tang, Yafei Li, Zhen Zhou, Yongsheng Chen, Zhongfang Chen Tuning Electronic and Magnetic Properties of Wurtzite ZnO Nanosheets by Surface Hydrogenation. ACS applied materials & interfaces 2 (8), 2442-2447