Detalhe da pesquisa
1.
Crystallographic Effects of GaN Nanostructures in Photoelectrochemical Reaction.
Nano Lett
; 22(6): 2236-2243, 2022 03 23.
Artigo
Inglês
| MEDLINE | ID: mdl-35258977
2.
Development of a photoelectrochemically self-improving Si/GaN photocathode for efficient and durable H2 production.
Nat Mater
; 20(8): 1130-1135, 2021 Aug.
Artigo
Inglês
| MEDLINE | ID: mdl-33820963
3.
Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations.
J Chem Phys
; 145(15): 154501, 2016 Oct 21.
Artigo
Inglês
| MEDLINE | ID: mdl-27782470
4.
Determination of phase stability of elemental boron.
Angew Chem Int Ed Engl
; 54(12): 3626-9, 2015 Mar 16.
Artigo
Inglês
| MEDLINE | ID: mdl-25619645
5.
Confinement Effects on Proton Transfer in TiO2 Nanopores from Machine Learning Potential Molecular Dynamics Simulations.
ACS Appl Mater Interfaces
; 2024 Jun 06.
Artigo
Inglês
| MEDLINE | ID: mdl-38840582
6.
Hydrogen-bond dynamics of water at the interface with InP/GaP(001) and the implications for photoelectrochemistry.
J Am Chem Soc
; 135(42): 15774-83, 2013 Oct 23.
Artigo
Inglês
| MEDLINE | ID: mdl-24053479
7.
Ligand-mediated modification of the electronic structure of CdSe quantum dots.
Nano Lett
; 12(6): 2763-7, 2012 Jun 13.
Artigo
Inglês
| MEDLINE | ID: mdl-22594309
8.
Defect graph neural networks for materials discovery in high-temperature clean-energy applications.
Nat Comput Sci
; 3(8): 675-686, 2023 Aug.
Artigo
Inglês
| MEDLINE | ID: mdl-38177319
9.
Mechanistic Insights on Permeation of Water over Iron Cations in Nanoporous Silicon Oxide Films for Selective H2 and O2 Evolution.
ACS Appl Mater Interfaces
; 15(14): 17814-17824, 2023 Apr 12.
Artigo
Inglês
| MEDLINE | ID: mdl-36975208
10.
Comment on "New Ground-State Crystal Structure of Elemental Boron".
Phys Rev Lett
; 118(15): 159601, 2017 04 14.
Artigo
Inglês
| MEDLINE | ID: mdl-28452521
11.
Local structural models of complex oxygen- and hydroxyl-rich GaP/InP(001) surfaces.
J Chem Phys
; 136(6): 064705, 2012 Feb 14.
Artigo
Inglês
| MEDLINE | ID: mdl-22360213
12.
Inq, a Modern GPU-Accelerated Computational Framework for (Time-Dependent) Density Functional Theory.
J Chem Theory Comput
; 17(12): 7447-7467, 2021 Dec 14.
Artigo
Inglês
| MEDLINE | ID: mdl-34726888
13.
Enhancing Defect Tolerance with Ligands at the Surface of Lead Halide Perovskites.
J Phys Chem Lett
; 12(27): 6299-6304, 2021 Jul 15.
Artigo
Inglês
| MEDLINE | ID: mdl-34227805
14.
ß-Rhombohedral boron: at the crossroads of the chemistry of boron and the physics of frustration.
Chem Rev
; 113(5): 3425-49, 2013 May 08.
Artigo
Inglês
| MEDLINE | ID: mdl-23472640
15.
A quantum fluid of metallic hydrogen suggested by first-principles calculations.
Nature
; 431(7009): 669-72, 2004 Oct 07.
Artigo
Inglês
| MEDLINE | ID: mdl-15470423
16.
Benchmarking boron carbide equation of state using computation and experiment.
Phys Rev E
; 102(5-1): 053203, 2020 Nov.
Artigo
Inglês
| MEDLINE | ID: mdl-33327061
17.
Imperfect crystal and unusual semiconductor: boron, a frustrated element.
J Am Chem Soc
; 131(5): 1903-9, 2009 Feb 11.
Artigo
Inglês
| MEDLINE | ID: mdl-19191703
18.
Identifying the Role of Dynamic Surface Hydroxides in the Dehydrogenation of Ti-Doped NaAlH4.
ACS Appl Mater Interfaces
; 11(5): 4930-4941, 2019 Feb 06.
Artigo
Inglês
| MEDLINE | ID: mdl-30630309
19.
Integrating Ab Initio Simulations and X-ray Photoelectron Spectroscopy: Toward A Realistic Description of Oxidized Solid/Liquid Interfaces.
J Phys Chem Lett
; 9(1): 194-203, 2018 Jan 04.
Artigo
Inglês
| MEDLINE | ID: mdl-29240441
20.
Theoretical and experimental investigation of the equation of state of boron plasmas.
Phys Rev E
; 98(2-1): 023205, 2018 Aug.
Artigo
Inglês
| MEDLINE | ID: mdl-30253522