2021

Mwankemwa, Nsajigwa ; Chen, Shanjun ; Gao, Shufang ; Xiao, Yi ; Zhang, Weibin ; Zhu, Desheng (2021)
First-principles calculations to investigate the electronic and optical properties of (MoS2)4-n/(MoSSe)n lateral heterostructure.
In: Journal of Physics and Chemistry of Solids, 154
doi: 10.1016/j.jpcs.2021.110049
Artikel, Bibliographie

Xiao, Yi ; Tang, Li ; Zhang, Weibin ; Shen, Chen (2021)
Theoretical insights into the selective and activity of CuAu catalyst for O2 and CO2 electroreduction.
In: Computational Materials Science, 192
doi: 10.1016/j.commatsci.2021.110402
Artikel, Bibliographie

Wang, Jianrong ; Zhang, Weibin ; Wu, Qingfeng ; Gao, Shufang ; Jin, Yuanyuan ; Xiao, Yi ; Chen, Yan (2021)
The electronic and optical properties of Au decorated(1 01¯4) dolomite surface : A first principles calculations.
In: Results in Physics, 21
doi: 10.1016/j.rinp.2021.103827
Artikel, Bibliographie

2020

Xiao, Yi ; Zhang, Weibin (2020)
Adsorption mechanisms of Mo2CrC2 MXenes as potential anode materials for metal-ion batteries: A first-principles investigation.
In: Applied Surface Science, 513
doi: 10.1016/j.apsusc.2020.145883
Artikel, Bibliographie

Xiao, Yi ; Zhang, Weibin (2020)
High-Throughput Calculation Investigations on the Electrocatalytic Activity of Codoped Single Metal–Nitrogen Embedded in Graphene for ORR Mechanism.
In: Electrocatalysis, 11 (4)
doi: 10.1007/s12678-020-00598-8
Artikel, Bibliographie

Xiao, Yi ; Zhang, Weibin (2020)
High throughput screening of M3C2 MXenes for efficient CO2 reduction conversion into hydrocarbon fuels.
In: Nanoscale, 12 (14)
doi: 10.1039/C9NR10598K
Artikel, Bibliographie

Zhang, Weibin ; Xiao, Yi (2020)
Mechanism of Electrocatalytically Active Precious Metal (Ni, Pd, Pt, and Ru) Complexes in the Graphene Basal Plane for ORR Applications in Novel Fuel Cells.
In: Energy & Fuels, 34 (2)
doi: 10.1021/acs.energyfuels.9b04036
Artikel, Bibliographie

Xiao, Yi ; Zhang, Weibin (2020)
DFT analysis elementary reaction steps of catalytic activity for ORR on metal-, nitrogen- co-doped graphite embedded structure.
In: SN Applied Sciences, 2
doi: 10.1007/s42452-020-2009-8
Artikel, Bibliographie

2019

Xiao, Yi ; Wang, Jianrong ; Wang, Yi ; Zhang, Weibin (2019)
A new promising catalytic activity on blue phosphorene nitrogen-doped nanosheets for the ORR as cathode in nonaqueous Li–air batteries.
In: Applied Surface Science, 488
doi: 10.1016/j.apsusc.2019.05.280
Artikel, Bibliographie

Zhang, Xinxin ; Song, Yi ; Zhang, Fuchun ; Fan, Qiang ; Jin, Hong ; Chen, Shanjun ; Jin, Yuanyuan ; Gao, Shufang ; Xiao, Yi ; Mwankemwa, Nsajigwa ; Jiang, Long ; Zhang, Weibin (2019)
The electronic properties of hydrogenated Janus MoSSe monolayer: a first principles investigation.
In: Materials Research Express, 6 (10)
doi: 10.1088/2053-1591/ab3ac8
Artikel, Bibliographie