Detalhe da pesquisa
1.
Implicit Solvation Methods for Catalysis at Electrified Interfaces.
Chem Rev
; 122(12): 10777-10820, 2022 Jun 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-34928131
2.
Heterogeneous Catalyst as a Functional Substrate Governing the Shape of Electrochemical Precipitates in Oxygen-Fueled Rechargeable Batteries.
J Am Chem Soc
; 145(28): 15425-15434, 2023 Jul 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37427828
3.
An implicit electrolyte model for plane wave density functional theory exhibiting nonlinear response and a nonlocal cavity definition.
J Chem Phys
; 159(23)2023 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38112507
4.
A Two-Dimensional MoS2 Catalysis Transistor by Solid-State Ion Gating Manipulation and Adjustment (SIGMA).
Nano Lett
; 19(10): 7293-7300, 2019 10 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-31499003
5.
Practical Considerations for Continuum Models Applied to Surface Electrochemistry.
Chemphyschem
; 20(22): 3074-3080, 2019 11 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-31317628
6.
Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme.
J Chem Phys
; 150(4): 041710, 2019 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30709294
7.
Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutions.
J Chem Phys
; 146(13): 134103, 2017 Apr 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28390359
8.
Elucidating Solvatochromic Shifts in Two-Dimensional Photocatalysts by Solving the Bethe-Salpeter Equation Coupled with Implicit Solvation Method.
J Phys Chem Lett
; 15(17): 4575-4580, 2024 May 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-38639559
9.
The importance of a charge transfer descriptor for screening potential CO2 reduction electrocatalysts.
Nat Commun
; 14(1): 2598, 2023 May 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37147278
10.
Tuning the C1 /C2 Selectivity of Electrochemical CO2 Reduction on Cu-CeO2 Nanorods by Oxidation State Control.
Adv Mater
; 35(8): e2208996, 2023 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-36470580
11.
GW Quasiparticle Energies and Bandgaps of Two-Dimensional Materials Immersed in Water.
J Phys Chem Lett
; 13(32): 7574-7582, 2022 Aug 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-35948424
12.
On the importance of the electric double layer structure in aqueous electrocatalysis.
Nat Commun
; 13(1): 174, 2022 Jan 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-35013347
13.
Strained Pt(221) Facet in a PtCo@Pt-Rich Catalyst Boosts Oxygen Reduction and Hydrogen Evolution Activity.
ACS Appl Mater Interfaces
; 14(22): 25246-25256, 2022 Jun 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-35609281
14.
A unifying mechanism for cation effect modulating C1 and C2 productions from CO2 electroreduction.
Nat Commun
; 13(1): 5482, 2022 Sep 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-36123326
15.
Tunable Product Selectivity in Electrochemical CO2 Reduction on Well-Mixed Ni-Cu Alloys.
ACS Appl Mater Interfaces
; 13(46): 55272-55280, 2021 Nov 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-34767344
16.
Selective electrochemical reduction of nitric oxide to hydroxylamine by atomically dispersed iron catalyst.
Nat Commun
; 12(1): 1856, 2021 03 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33767159
17.
Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold.
Nat Commun
; 11(1): 33, 2020 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31911585
18.
Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics.
J Chem Theory Comput
; 15(12): 6895-6906, 2019 Dec 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-31689089
19.
pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper.
Nat Commun
; 10(1): 32, 2019 01 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-30604776
20.
Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT.
J Chem Theory Comput
; 12(8): 4052-66, 2016 Aug 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-27323006