Detalhe da pesquisa
1.
Enhanced OER catalytic activity of single metal atoms supported by the pentagonal NiN2 monolayer: insight from density functional theory calculations.
Phys Chem Chem Phys
; 26(7): 6292-6299, 2024 Feb 14.
Artigo
Inglês
| MEDLINE | ID: mdl-38305764
2.
How spin state and oxidation number of transition metal atoms determine molecular adsorption: a first-principles case study for NH3.
Phys Chem Chem Phys
; 26(9): 7688-7694, 2024 Feb 28.
Artigo
Inglês
| MEDLINE | ID: mdl-38372067
3.
P-block atom modified Sn(200) surface as a promising electrocatalyst for two-electron CO2 reduction: a first-principles study.
Phys Chem Chem Phys
; 24(43): 26556-26563, 2022 Nov 09.
Artigo
Inglês
| MEDLINE | ID: mdl-36285510
4.
Effect of water on the effective Goldschmidt tolerance factor and photoelectric conversion efficiency of organic-inorganic perovskite: insights from first-principles calculations.
Phys Chem Chem Phys
; 19(23): 14955-14960, 2017 Jun 14.
Artigo
Inglês
| MEDLINE | ID: mdl-28561106
5.
Tuning band gaps and optical absorption of BiOCl through doping and strain: insight form DFT calculations.
Phys Chem Chem Phys
; 19(31): 20968-20973, 2017 Aug 09.
Artigo
Inglês
| MEDLINE | ID: mdl-28745740
6.
Ultra-high photoelectric conversion efficiency and obvious carrier separation in photovoltaic ZnIn2X4 (X = S, Se, and Te) van der Waals heterostructures.
Dalton Trans
; 53(10): 4729-4736, 2024 Mar 05.
Artigo
Inglês
| MEDLINE | ID: mdl-38362847
7.
Enhanced optical absorption in two-dimensional Ruddlesden-Popper (C6H5CH2NH3)2PbI4 perovskites via biaxial strain and surface doping.
Dalton Trans
; 52(32): 11067-11075, 2023 Aug 15.
Artigo
Inglês
| MEDLINE | ID: mdl-37523155
8.
The unique photoelectronic properties of the two-dimensional Janus MoSSe/WSSe superlattice: a first-principles study.
Dalton Trans
; 51(42): 16102-16110, 2022 Nov 01.
Artigo
Inglês
| MEDLINE | ID: mdl-36217903
9.
The oxygen vacancy in Li-ion battery cathode materials.
Nanoscale Horiz
; 5(11): 1453-1466, 2020 Nov 01.
Artigo
Inglês
| MEDLINE | ID: mdl-33103682
10.
Injection of oxygen vacancies in the bulk lattice of layered cathodes.
Nat Nanotechnol
; 14(6): 602-608, 2019 06.
Artigo
Inglês
| MEDLINE | ID: mdl-31011218
11.
Enhanced optical absorption via cation doping hybrid lead iodine perovskites.
Sci Rep
; 7(1): 7843, 2017 08 10.
Artigo
Inglês
| MEDLINE | ID: mdl-28798418
12.
First-Principles Study of Novel Two-Dimensional (C4H9NH3)2PbX4 Perovskites for Solar Cell Absorbers.
J Phys Chem Lett
; 8(4): 876-883, 2017 Feb 16.
Artigo
Inglês
| MEDLINE | ID: mdl-28161952
13.
Unusual Li-Ion Transfer Mechanism in Liquid Electrolytes: A First-Principles Study.
J Phys Chem Lett
; 7(22): 4795-4801, 2016 Nov 17.
Artigo
Inglês
| MEDLINE | ID: mdl-27934207
14.
Spatial separation of photo-generated electron-hole pairs in BiOBr/BiOI bilayer to facilitate water splitting.
Sci Rep
; 6: 32764, 2016 09 02.
Artigo
Inglês
| MEDLINE | ID: mdl-27585548
15.
Electronic and magnetism properties of two-dimensional stacked nickel hydroxides and nitrides.
Sci Rep
; 5: 11656, 2015 Jun 26.
Artigo
Inglês
| MEDLINE | ID: mdl-26111476
16.
The stability and electronic properties of novel three-dimensional graphene-MoS2 hybrid structure.
Sci Rep
; 4: 7007, 2014 Nov 12.
Artigo
Inglês
| MEDLINE | ID: mdl-25387832