Detalhe da pesquisa
1.
Theoretical study of structure sensitivity on ceria-supported single platinum atoms and its influence on carbon monoxide adsorption.
J Comput Chem
; 2024 May 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38795373
2.
Identifying the Structure of Supported Metal Catalysts Using Vibrational Fingerprints from Ab Initio Nanoscale Models.
Small
; 19(34): e2300945, 2023 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-37093193
3.
Coordination of Ethylamine on Small Silver Clusters: Structural and Topological (ELF, QTAIM) Analyses.
Inorg Chem
; 61(19): 7274-7285, 2022 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35485936
4.
Revealing Size Dependent Structural Transitions in Supported Gold Nanoparticles in Hydrogen at Atmospheric Pressure.
Small
; 17(51): e2104571, 2021 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-34761525
5.
Capturing Solvation Effects at a Liquid/Nanoparticle Interface by Ab Initio Molecular Dynamics: Pt201 Immersed in Water.
Small
; 12(38): 5312-5319, 2016 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-27531424
6.
Coverage-dependent thermodynamic analysis of the formation of water and hydrogen peroxide on a platinum model catalyst.
Phys Chem Chem Phys
; 17(17): 11392-400, 2015 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-25848757
7.
Fast prediction of adsorption properties for platinum nanocatalysts with generalized coordination numbers.
Angew Chem Int Ed Engl
; 53(32): 8316-9, 2014 Aug 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-24919964
8.
Influence of air exposure on structural isomers of silver nanoparticles.
Commun Chem
; 6(1): 19, 2023 Jan 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-36698009
9.
How far the chemistry of self-assembled monolayers on gold surfaces affects their work function?
Nanoscale
; 15(42): 17113-17123, 2023 Nov 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-37850381
10.
Growth of a Pt film on non-reduced ceria: a density functional theory study.
J Chem Phys
; 136(4): 044705, 2012 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-22299912
11.
Nature of adhesion of condensed organic films on platinum by first-principles simulations.
Phys Chem Chem Phys
; 13(25): 11827-37, 2011 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-21344076
12.
Importance of Defective and Nonsymmetric Structures in Silver Nanoparticles.
J Phys Chem Lett
; 12(15): 3705-3711, 2021 Apr 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33831304
13.
Effect of the Ligand Binding Strength on the Morphology of Functionalized Gold Nanoparticles.
J Phys Chem Lett
; 11(7): 2717-2723, 2020 Apr 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-32146808
14.
Restructuring of the Pt3Sn(111) surfaces induced by atomic and molecular oxygen from first principles.
J Chem Phys
; 130(12): 124716, 2009 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-19334881
15.
A Water Solvation Shell Can Transform Gold Metastable Nanoparticles in the Fluxional Regime.
J Phys Chem Lett
; 10(5): 1092-1098, 2019 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30707843
16.
Why conclusions from platinum model surfaces do not necessarily lead to enhanced nanoparticle catalysts for the oxygen reduction reaction.
Chem Sci
; 8(3): 2283-2289, 2017 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28451330
17.
Promoter effect of hydration on the nucleation of nanoparticles: direct observation for gold and copper on rutile TiO2 (110).
Nanoscale
; 8(36): 16475-85, 2016 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-27603921
18.
Formation of a high coverage (3 x 3) NO phase on Pd(111) at elevated pressures: interplay between kinetic and thermodynamic accessibility.
J Phys Chem B
; 109(12): 5414-7, 2005 Mar 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-16851573
19.
Introducing structural sensitivity into adsorption-energy scaling relations by means of coordination numbers.
Nat Chem
; 7(5): 403-10, 2015 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-25901818
20.
Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors.
Science
; 350(6257): 185-9, 2015 Oct 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-26450207