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
em 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
em Inglês
| MEDLINE | ID: mdl-38372067
3.
InN/XS2 (X = Zr, Hf) vdW heterojunctions: promising Z-scheme systems with high hydrogen evolution activity for photocatalytic water splitting.
Phys Chem Chem Phys
; 25(11): 8144-8152, 2023 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36877127
4.
Proximity effects in graphene-supported single-atom catalysts for hydrogen evolution reaction.
J Chem Phys
; 159(9)2023 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-37655775
5.
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
em Inglês
| MEDLINE | ID: mdl-36285510
6.
Site dependent reactivity of Pt single atoms on anatase TiO2(101) in an aqueous environment.
Phys Chem Chem Phys
; 22(19): 10455-10461, 2020 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31674604
7.
A promising blue phosphorene/C2N van der Waals type-II heterojunction as a solar photocatalyst: a first-principles study.
Phys Chem Chem Phys
; 22(2): 615-623, 2020 Jan 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-31822873
8.
Electronic structure and photoabsorption of Ti3+ ions in reduced anatase and rutile TiO2.
Phys Chem Chem Phys
; 20(26): 17658-17665, 2018 Jul 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-29931014
9.
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
em Inglês
| MEDLINE | ID: mdl-28745740
10.
Localized Excitation of Ti(3+) Ions in the Photoabsorption and Photocatalytic Activity of Reduced Rutile TiO2.
J Am Chem Soc
; 137(28): 9146-52, 2015 Jul 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-26121118
11.
A low-surface energy carbon allotrope: the case for bcc-C6.
Phys Chem Chem Phys
; 17(21): 14083-7, 2015 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-25959535
12.
The Role of Water Molecules on Polaron Behavior at Rutile (110) Surface: A Constrained Density Functional Theory Study.
J Phys Chem Lett
; 15(4): 1019-1027, 2024 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-38253014
13.
Oxygen Vacancy Diffusion in Rutile TiO2: Insight from Deep Neural Network Potential Simulations.
J Phys Chem Lett
; 14(8): 2208-2214, 2023 Mar 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-36812488
14.
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
em Inglês
| MEDLINE | ID: mdl-36217903
15.
The role of permanent and induced electrostatic dipole moments for Schottky barriers in Janus MXY/graphene heterostructures: a first-principles study.
Dalton Trans
; 51(25): 9905-9914, 2022 Jun 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-35722990
16.
Crucial Role of Crystal Field on Determining the Evolution Process of Janus MoSSe Monolayer: A First-Principles Study.
J Phys Chem Lett
; 13(40): 9287-9294, 2022 Oct 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36173671
17.
The unique carrier mobility of monolayer Janus MoSSe nanoribbons: a first-principles study.
Dalton Trans
; 50(29): 10252-10260, 2021 Jul 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34251008
18.
Unfavourable clinicopathologic features and low response rate to systemic adjuvant therapy: results with regard to poor survival in young Chinese breast cancer patients.
Breast Cancer Res Treat
; 122(1): 95-104, 2010 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-19760032
19.
UHRF1 is associated with epigenetic silencing of BRCA1 in sporadic breast cancer.
Breast Cancer Res Treat
; 123(2): 359-73, 2010 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-19943104
20.
Five common single nucleotide polymorphisms in the PALB2 gene and susceptibility to breast cancer in eastern Chinese population.
Breast Cancer Res Treat
; 123(1): 133-8, 2010 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-19921424