The adsorption of CO and NO on the MoS2 monolayer doped with Au, Pt, Pd, or Ni: A first-principles study D Ma, W Ju, T Li, X Zhang, C He, B Ma, Z Lu, Z Yang
Applied Surface Science 383, 98-105, 2016
371 2016 Bifunctional CoNx embedded graphene electrocatalysts for OER and ORR: a theoretical evaluation X Zhang, Z Yang, Z Lu, W Wang
Carbon 130, 112-119, 2018
239 2018 C3N monolayers as promising candidates for NO2 sensors D Ma, J Zhang, X Li, C He, Z Lu, Z Lu, Z Yang, Y Wang
Sensors and Actuators B: Chemical 266, 664-673, 2018
206 2018 Graphyne as a promising substrate for the noble-metal single-atom catalysts DW Ma, T Li, Q Wang, G Yang, C He, B Ma, Z Lu
Carbon 95, 756-765, 2015
206 2015 The mechanisms of oxygen reduction reaction on phosphorus doped graphene: A first-principles study X Zhang, Z Lu, Z Fu, Y Tang, D Ma, Z Yang
Journal of Power Sources 276, 222-229, 2015
191 2015 Modulating electronic, magnetic and chemical properties of MoS2 monolayer sheets by substitutional doping with transition metals D Ma, W Ju, T Li, X Zhang, C He, B Ma, Y Tang, Z Lu, Z Yang
Applied Surface Science 364, 181-189, 2016
183 2016 CO oxidation on single Pd atom embedded defect-graphene via a new termolecular Eley-Rideal mechanism G Xu, R Wang, F Yang, D Ma, Z Yang, Z Lu
Carbon 118, 35-42, 2017
182 2017 3d transition metal embedded C2N monolayers as promising single-atom catalysts: a first-principles study DW Ma, Q Wang, X Yan, X Zhang, C He, D Zhou, Y Tang, Z Lu, Z Yang
Carbon 105, 463-473, 2016
178 2016 Novel catalytic activity for oxygen reduction reaction on MnN4 embedded graphene: A dispersion-corrected density functional theory study Z Lu, G Xu, C He, T Wang, L Yang, Z Yang, D Ma
Carbon 84, 500-508, 2015
173 2015 Theoretical Inspection of M1 /PMA Single-Atom Electrocatalyst: Ultra-High Performance for Water Splitting (HER/OER) and Oxygen Reduction Reactions (OER) SH Talib, Z Lu, X Yu, K Ahmad, B Bashir, Z Yang, J Li
Acs Catalysis 11 (14), 8929-8941, 2021
151 2021 Oxygen vacancy formation energy in Pd-doped ceria: A DFT+ U study Z Yang, G Luo, Z Lu, K Hermansson
The Journal of chemical physics 127 (7), 2007
148 2007 Formaldehyde molecule adsorption on the doped monolayer MoS2: A first-principles study D Ma, W Ju, T Li, G Yang, C He, B Ma, Y Tang, Z Lu, Z Yang
Applied Surface Science 371, 180-188, 2016
146 2016 First-principles and experimental study of nitrogen/sulfur co-doped carbon nanosheets as anodes for rechargeable sodium ion batteries Y Qiao, M Ma, Y Liu, S Li, Z Lu, H Yue, H Dong, Z Cao, Y Yin, S Yang
Journal of Materials Chemistry A 4 (40), 15565-15574, 2016
143 2016 Repairing sulfur vacancies in the MoS 2 monolayer by using CO, NO and NO 2 molecules D Ma, Q Wang, T Li, C He, B Ma, Y Tang, Z Lu, Z Yang
Journal of Materials Chemistry C 4 (29), 7093-7101, 2016
137 2016 Physisorbed, Chemisorbed, and Oxidized CO on Highly Active Cu−CeO2 (111) Z Yang, B He, Z Lu, K Hermansson
The Journal of Physical Chemistry C 114 (10), 4486-4494, 2010
134 2010 Sodium storage mechanism of N, S co-doped nanoporous carbon: Experimental design and theoretical evaluation Y Liu, Y Qiao, G Wei, S Li, Z Lu, X Wang, X Lou
Energy Storage Materials 11, 274-281, 2018
125 2018 Theoretical study on the Si-doped graphene as an efficient metal-free catalyst for CO oxidation Y Tang, Z Liu, X Dai, Z Yang, W Chen, D Ma, Z Lu
Applied surface science 308, 402-407, 2014
122 2014 First-principles study of the Z Yang, Z Lu, G Luo
Physical Review B—Condensed Matter and Materials Physics 76 (7), 075421, 2007
117 2007 CO catalytic oxidation on iron-embedded monolayer MoS2 D Ma, Y Tang, G Yang, J Zeng, C He, Z Lu
Applied Surface Science 328, 71-77, 2015
112 2015 Oxygen vacancy formation energy at the Pd/CeO2 (111) interface Z Yang, Z Lu, G Luo, K Hermansson
Physics Letters A 369 (1-2), 132-139, 2007
108 2007 
Zongxian YangCollege of Physics and Materials Science, Henan Normal UniversityEmail verificata su henannu.edu.cn