学术论文

#共一； *通讯；课题组学生。 论文引用情况参考‪高国平（Guoping Gao)- ‪Google Scholar‬ (beds.ac.uk) 或者Guoping Gao - Web of Science Core Collection (clarivate.cn)

 

2024

  1. C. Li, Q. Zhang, L. Wang, S. Zhang*, G. Gao*. Revealing the thermodynamic mechanism of phase transition induced by activation polarization in lithium-ion batteries. Small. 2024, 2404890.
  2. G. Gao*, L. Wang*. Protocol for evaluating the effect of the potential on electrochemical reaction via the grand canonical fixed-potential technique. STAR Protoc. 2024, 5, 103021. （固定电势法使用指南）
  3. X. Mao, T. He, G. Kour, H. Yin, C. Ling,* G. Gao,* Y. Jin, Q. Liu, A. P. O'Mullane, A. Du*. Computational Electrocatalysis beyond Conventional Hydrogen Electrode Model: CO2 Reduction to C2 Species on Copper Facilitated by Dynamically Formed Solvent Halide Ions at the Solid-Liquid Interface. Chem. Sci. 2024, 15, 3330-3338.
  4. Z. Su, G. Gao*, J. Kang*. Potential Effects in Electrochemical Oxidation of Carbon Monoxide Catalyzed by Rh-N-Doped Graphene. J. Phys. Chem. C 2024, 128, 9940-9947. 
  5. W. Han, X. Gao*, Y. Song, X. Wang, G. Gao, H. Chen, Q. Gu, W. Luo*. Synergistic Effect of Co-Mo Pinning in Lay-Structured OxideCathode for Enhancing Stability toward Potassium-Ion Batteries. Small. 2024, 2400252.
  6.  Z. Liu, X. Gao, J. Mu, H. Chen, G. Gao, Q. Lai, D. Yang, Q. Gu, W. Luo*. Multiphase Riveting Structure for High Power and Long Lifespan Potassium-Ion Batteries. Adv. Funct. Mater. 2024, 2315006.
  7.  D. Yang#, X. Gao#, G. Gao#, Q. Lai, T. Ren, Q. Gu, Z. Liu, W. Luo*. Local Electronic Structure Constructing of Layer-structured Oxide Cathode Material for High Voltage Sodium-Ion Batteries. Carbon Energy. 2024, e574.
  8. H. Ren#, X. Gao#, D. Yong, Z. Liu, X. Wang, G. Gao, H. Chen, Q. Gu, Z. Liu, W. Luo*. Multiphase riveting structure constructed by slight molybdenum for enhanced P3/O3 layer-structured oxide cathode material. Chem. Eng. J. 2024, 152787.

2023

  1.  L. Chong, G. Gao, J. Wen, H. Li, H. Xu, Z. Green, J. Sugar, A. Kropf, W. Xu, X. Lin, H. Xu, L. Wang, D. Liu*. Platinum Group Metal-Free Oxygen Evolution Catalyst in Proton Exchange Membrane Water Electrolyzer. Science. 2023, 380, 609-616.
  2. G. Gao*, L. Wang*. The concerted proton-electron transfer mechanism of proton migration in the electrochemical interface. iScience. 2023, 26. 108318. 
  3. Q. Zhang, Y. Zhang, G. Gao*, S. Zhang*. Potential-driven semiconductor-to-metal transition in monolayer transition metal dichalcogenides. Adv. Funct. Mater. 2023, 33, 2208736.
  4. Q. Zhang, Y. Zhang, S. Zhang*, G. Gao*. Potential effects on the catalytic mechanisms of OER and ORR. J. Phys. Chem. C. 2023, 127, 146346.

2022

  1.  N. Li#, L. Cai*#, G. Gao#, Y. Lin, C. Wang, Z. Liu, Q. Ji, H. Duan, L. Wang*, W. Yan*. Origin of Surface Amorphization and Catalytic Stability of Ca2−xIrO4 Nanocrystals for Acidic Oxygen Evolution: Critical Roles of Acid Anions. ACS Catal., 2022, 12, 13475–13481. 
  2. N. Li#, L. Cai*#, G. Gao#, Y. Lin, C. Wang, H. Liu, W. Hu, H. Tan, Z. Qi, L. Wang*, W. Yan*. Operando Direct Observation of Stable Water-Oxidation Intermediates on Ca2-xIrO4 Nanocrystals for Efficient Acidic Oxygen Evolution. Nano Lett., 2022, 22, 6988-6996. 
  3. C. Xi, F. Zheng, G. Gao, Z. Song, B. Zhang, C. Dong, X. Du, L. Wang. Ion Solvation Free Energy Calculation Based on Ab Initio Molecular Dynamics Using a Hybrid Solvent Model. J. Chem. Theory Comput., 2022, 18, 6878–6891. 

入职后

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入职前

2021

  1. G. Gao*, L. Wang*. A potential and pH inclusive microkinetic model for hydrogen reactions on Pt surface. Chem Catal. 2021, 1, 1331-1345
  2. Y. Zhou, G. Gao, W. Chu, L. Wang. Transition-metal single atoms embedded into defective BC3 as efficient electrocatalysts for oxygen evolution and reduction reactions. Nanoscale 2021, 13, 1331-1339.

2020

  1. G. Gao, F. Zheng, L. Wang. Solid 3D Li–S Battery Design via Stacking 2D Conductive Microporous Coordination Polymers and Amorphous Li–S Layers. Chem. Mater. 2020, 32, 1974-1982. 
  2. G. Zhou#, A. Yang#, G. Gao#, X. Yu, J. Xu, C. Liu, Y. Ye, A. Pei, Y. Wu, Y. Peng, Y. Li, Z. Yang, K. Liu L.W. Wang, Y. Cui, Super-cooled liquid sulfur maintained in three-dimensional current collector for high-performance Li-S batteries, Sci. Adv. 2020, 6: eaay5098.
  3. G. Gao*, L. Wang*. Substantial potential effects on single-atom catalysts for the oxygen evolution reaction via the fixed-potential method. J. Catal. 2020, 391, 530-538.
  4. G. Gao, X. Sun, L. Wang. Inverse vulcanized conductive polymer for Li-S battery cathode. J. Mater. Chem. A 2020, 8, 21711-21720.
  5. X. He#, Z. Liu#, G. Gao#, X. Liu, M. Swietoslawski, J. Feng, G. Liu, L. Wang, R. Kostecki. Revealing the working mechanism of a multi-functional block copolymer binder for lithium-sulfur batteries. J. Energy Chem. 2020, 5, 1-8. 
  6. G. Zhou, A. Yang, Y. Wang, G. Gao, A. Pei, X. Yu, Y. Zhu, L. Zong, B. Liu, J. Xu, N. Liu, J. Zhang, Y. Li, L.-W. Wang, H. Hwang, M. Brongersma, S. Chu, Y. Cui. Electrotunable liquid sulfur microdroplets. Nat. Commun. 2020, 11, 606.
  7. C. Xi, F. Zheng, G. Gao, M. Ye, C. Dong, X. Du, L. Wang. Distribution of alkali cations near the Cu (111) surface in aqueous solution. J. Mater. Chem. A, 2020, 8, 24428-24437.
  8. Y. Gai, G. Tang, G. Gao, L. Wang. Thermodynamic Full Landscape Searching Scheme for Identifying the Mechanism of Electrochemical Reaction: A Case Study of Oxygen Evolution on Fe- and Co-Doped Graphene–Nitrogen Sites. J. Phys. Chem. A, 2020, 124, 5444.
  9. Y. Zhou, G. Gao, W. Chu, L. Wang. Computational screening of transition metal-doped phthalocyanine monolayers for oxygen evolution and reduction. Nanoscale Adv. 2020, 2, 710-716.

2019

  1. H. Zhong#, G. Gao#, X. Wang, H. Wu, S. Shen, W. Zuo, G. Cai, G. Wei, Y. Shi, D. Fu, C. Jiang, L. Wang, F. Ren. Ion Irradiation Inducing Oxygen Vacancy-rich NiO/NiFe2O4 Heterostructure for Enhanced Electrocatalytic Water Oxidation. Small, 2021 Accepted. 
  2. Y. Zhou, J. Li, X. Gao, W. Chu*, G. Gao*, L Wang*. Recent advances in single-atom electrocatalysts supported on two-dimensional materials for oxygen evolution reaction. J. Mater. Chem. A, 2021, 9，9979-9999.
  3. Y. Zhou#, G. Gao#, Y. Li, W. Chu, L. Wang. Transition-metal single atoms in nitrogen-doped graphene as efficient active centers for water splitting: A theoretical study. Phys. Chem. Chem. Phys. 2019, 21, 3024-3032.
  4. Y. Tsao, M. Lee, E. Miller, G. Gao, J. Park, S. Chen, T. Katsumata, H. Tran, L. Wang, M. Toney, Y. Cui, Z. Bao. Designing a Quinone-Based Redox Mediator to Facilitate Li2S Oxidation in Li-S Batteries. Joule 2019, 3, 872-884. 
  5. Q. Zhang, G. Gao, Y. Shen, X. Peng, J. Shangguan, Y. Wang, H. Dong, K. Bustillo, L. Wang, L. Sun, H. Zheng. Anomalous Shape Evolution of Ag2O2 Nanocrystals Modulated by Surface Adsorbates during Electron Beam Etching. Nano Lett. 2019, 19, 591-597.
  6. Y. Zhou, G. Gao, J. Kang, W. Chu, L. Wang. Computational screening of transition-metal single atom doped C9N4 monolayers as efficient electrocatalysts for water splitting. Nanoscale 2019, 11, 18169-18175.
  7. Y. Zhou, G. Gao, J. Kang, W. Chu, L. Wang. Transition metal embedded two-dimensional C3N as highly active electrocatalysts for oxygen evolution and reduction reactions. J. Mater. Chem. A. 2019, 7, 12050-12059.

2018

  1. G. Gao, F. Zheng, F. Pan, L. Wang. Theoretical investigation of 2D Conductive microporous coordination polymers as Li-S battery cathode with ultrahigh energy density. Adv. Energy Mater. 2018, 201801823. 
  2. G. Gao*, S. Bottle, A. Du*. Understanding the activity and selectivity of single atom catalysts for hydrogen and oxygen evolution via ab Initio study. Catal. Sci. Technol. 2018, 8, 996-1001.
  3. Q. Kong, W. Lee, M. Lai, C. Bischak, G. Gao, A. Wong, T. Lei, Y. Yu, L. Wang, N. Ginsberg, P. Yang, Phase transition induced p-n junction in single halide perovskite nanowire. PNAS, 2018, 115, 8889-8894. 
  4. L. Zhang, Y. Jia, G. Gao, X. Yan, et cl. Defects on graphene trapping nickel single atoms for hydrogen and oxygen evolution reactions. Chem. 2018, 4, 285-297.
  5. Y. Huang, Z. Liu, G. Gao, et al. Visible light-driven selective hydrogenation of unsaturated aromatics in an aqueous solution by direct photocatalysis of Au nanoparticles. Catal. Sci. Technol. 2018，8, 726-734.

2017

  1. G. Gao, A. O'Mullane, A. Du. 2D MXenes: A new family of promising catalysts for the hydrogen evolution reaction. ACS Catal. 2017, 7, 494-500.
  2. J. Ran#, G. Gao#, F. Li, T. Ma, A. Du, S Qiao. Ti3C2 MXene co-catalyst on metal sulfide photo-absorbers for enhanced visible-light photocatalytic hydrogen production. Nat. Commun. 2017, 8, 13907.
  3. G. Gao, E. R. Waclawik, A. Du. Computational screening of two-dimensional coordination polymers as efficient catalysts for oxygen evolution and reduction reaction. J. Catal. 2017, 352, 579-585.
  4. G. Gao, Y. Jiao, F. Ma, Y. Jiao, L. Kou, E. Waclawik, A. Du. High selective and permeable hydrogen purification via stanene-based membrane. Int. J. Hydrogen Energy 2017, 42, 5577-5583.
  5. T. He, G. Gao, L. Kou, G. Will, A. Du. Endohedral metallofullerenes (M@C60) as efficient catalysts for highly active hydrogen evolution reaction. J. Catal. 2017, 354, 231-235. 
  6. Y. Jia, L. Zhang, G. Gao, et cl. A heterostructure coupling of exfoliated Ni-Fe hydroxide nanosheet and defective graphene as a bifunctional electrocatalyst for overall water splitting. Adv. Mater. 2017, 29, 1700017.
  7. Y. Huang, Z. Liu, G. Gao, et al. Stable copper nanoparticle photocatalysts for selective epoxidation of alkenes with visible light. ACS Catal. 2017, 7, 4975-4985.

 

2016

  1. G. Gao, Y. Jiao, E. R. Waclawik, A. Du. Single isolated atom (Pd and Pt) supported on g-C3N4 as potential photosynthesis catalyst for visible-light reduction of CO2. J. Am. Chem. Soc. 2016, 138, 6292–6297.
  2. G. Gao, Q. Sun, A. Du. Activating catalytic inert basal plane of molybdenum disulfide to optimize hydrogen evolution activity via defect doping and strain engineering. J. Phys. Chem. C 2016, 120, 16761-16766.
  3. F. Ma, G. Gao, Y. Jiao, Y. Gu, A. Bilic, H. Zhang, Z. Chen, A. Du. Predicting a new phase (T”) of two-dimensional transition metal di-chalcogenides and strain-controlled topological phase transition. Nanoscale 2016, 8, 4969-4975.
  4. Y. Jia, L. Zhang, A. Du, G. Gao, J. Chen, X. Yan, C. Brown, X. Yao. Defect graphene as a trifunctional catalyst for electrochemical reactions. Adv. Mater. 2016, 28, 9532–9538. 
  5. F. Ma, Y. Jiao, G. Gao, Y. Gu, A. Bilic, Z. Chen, A. Du. Graphene-like two-dimensional ionic boron with double Dirac cones at ambient condition. Nano Lett. 2016, 16, 3022-3028. 
  6. Q. Cai, A. Du, G. Gao, S. Mateti et al. Molecule-induced conformational change in boron nitride nanosheets with enhanced surface adsorption. Adv. Funct. Mater. 2016, 26, 8202–8210. 
  7. H. Wang, V. Sencadas, G. Gao, H. Gao, A. Du, H. Liu, Z. Guo. Strong affinity of polysulfide intermediates to multi-functional binder for practical application in lithium–sulfur batteries. Nano Energy 2016, 26, 722-728. 
  8. S. Wang, H. Chen, G. Gao, T. Butburee et al. Synergistic crystal facet engineering and structural control of WO3 films exhibiting unprecedented photoelectrochemical performance. Nano Energy 2016, 24, 94-102. 
  9. F. Ma, Y. Jiao, G. Gao, et cl. Substantial bandgap tuning and strain controlled semiconductor to gapless/band-inverted semi-metal transition in rutile lead/stannic dioxide. ACS Appl. Mater. Interfaces 2016, 8, 25667–25673. 
  10. Y. Jiao, L. Zhou, F. Ma, G. Gao, et cl. Predicting single-layer technetium dichalcogenides (TcX2, X= S, Se) with promising applications in photovoltaics and photocatalysis. ACS Appl. Mater. Interfaces 2016, 8, 5385-5392.
  11. H. Wang, T. Zhou, D. Li, H. Gao, G. Gao, A. Du, H. Liu, Z. Guo. Ultrathin cobaltosic oxide nanosheets as an effective sulfur encapsulation matrix with strong affinity toward polysulfides. ACS Appl. Mater. Interfaces 2016, 9, 4320–4325.
  12. T. Odedairo, X. Yan, G. Gao, X. Yao, A. Du, Z. Zhu. Boosting oxygen reduction and hydrogen evolution at the edge sites of a web-like carbon nanotube-graphene hybrid. Carbon 2016, 107, 739-746. 

2015

  1. G. Gao, Y. Jiao, F. Ma, Y. Jiao, E. Waclawik, A. Du. Charge mediated semiconducting-to-metallic phase transition in molybdenum disulphide monolayer and hydrogen evolution reaction in new 1T’ phase. J. Phys. Chem. C 2015, 119, 13124-13128.
  2. G. Gao, Y. Jiao, F. Ma, Y. Jiao, E. Waclawik, A Du. Metal-free graphitic carbon nitride as mechano-catalyst for hydrogen evolution reaction. J. Catal. 2015, 332, 149-155.
  3. G. Gao, Y. Jiao, F. Ma, Y. Jiao, E. Waclawik, A. Du. Carbon nanodot decorated graphitic carbon nitride: new insights into the enhanced photocatalytic water splitting from ab initio studies. Phys. Chem. Chem. Phys. 2015, 17, 31140-31144.
  4. G. Gao, Y. Jiao, Y. Jiao, F. Ma, L. Kou, A. Du. Calculations of helium separation via uniform pores of stanene-based membrane. Beilstein J. Nanotechnol. 2015, 6, 2470–2476.
  5. G Gao, F. Ma, Y. Jiao, Q. Sun, Y. Jiao, E. Waclawik, A. Du. Modelling CO2 adsorption and separation on experimentally-realized B40 fullerene. Comput. Mater. Sci. 2015, 108, 38-41.
  6. G. Gao, S. Wei, X. Duan, X. Pan. Influence of charge state on catalytic properties of PtAu(CO)n in reduction of SO2 by CO. Chem. Phys. Lett. 2015. 625.128-131. 
  7. J. Ran, T. Ma, G. Gao, X. Du, S. Qiao. Porous P-doped graphitic carbon nitride nanosheets for synergistically enhanced visible-light photocatalytic H2 production. Energy Environ. Sci. 2015, 8, 3708-3717.
  8. Y. Jiao, F. Ma, G. Gao, et cl. Versatile single-layer sodium phosphidostannate (II): strain-tunable electronic structure, excellent mechanical flexibility, and an ideal gap for photovoltaics. J. Phys. Chem. Lett. 2015, 6, 2682-2687.
  9. F. Ma, M. Zhou, Y. Jiao, G. Gao, Y. Gu, A. Bilic, Z. Chen, A. Du. Single layer bismuth iodide: computational exploration of structural, electrical, mechanical and optical properties. Sci. Rep. 2015, 5, 17558-17566. 
  10. Y. Jiao, F. Ma, G. Gao, H. Wang, J. Bell, T. Frauenheim, A. Du. Graphene-covered perovskites: an effective strategy to enhance light absorption and resist moisture degradation. RSC Adv. 2015, 5, 82346-82350.

2013

  1. G. Gao, S. Wei, X. Gu, X. Duan. Catalytic role of pre-adsorbed CO in platinum-based catalysts: the reduction of SO2 by CO on PtlAum(CO)n. Phys. Chem. Chem. Phys. 2013, 15,12846-12851. 

2012

  1. G. Gao, S. Wei, X. Duan. Catalytic reduction of SO2 by CO over PtlAum(CO)n: a first-principles investigation. J. Phys. Chem. C 2012, 116, 24930-24934.