Detalhe da pesquisa
1.
Validating ΔΔG Selectivity Descriptor for Electrosynthesis of H2O2 from Oxygen Reduction Reaction.
Angew Chem Int Ed Engl
; 63(23): e202404677, 2024 Jun 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-38513003
2.
Electrochemical Hydrogen Peroxide Synthesis from Selective Oxygen Reduction over Metal Selenide Catalysts.
Nano Lett
; 22(3): 1257-1264, 2022 Feb 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34965148
3.
Facet-Defined Strain-Free Spinel Oxide for Oxygen Reduction.
Nano Lett
; 22(9): 3636-3644, 2022 May 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-35357196
4.
Catalytic activity trends of pyrite transition metal dichalcogenides for oxygen reduction and evolution.
Phys Chem Chem Phys
; 24(33): 19911-19918, 2022 Aug 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-35960004
5.
Atomic Structure-Free Representation of Active Motifs for Expedited Catalyst Discovery.
J Chem Inf Model
; 61(9): 4514-4520, 2021 09 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34423642
6.
A Porphyrinic Zirconium Metal-Organic Framework for Oxygen Reduction Reaction: Tailoring the Spacing between Active-Sites through Chain-Based Inorganic Building Units.
J Am Chem Soc
; 142(36): 15386-15395, 2020 Sep 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32786758
7.
In silico discovery of active, stable, CO-tolerant and cost-effective electrocatalysts for hydrogen evolution and oxidation.
Phys Chem Chem Phys
; 22(35): 19454-19458, 2020 Sep 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-32856642
8.
Toward Predicting Intermetallics Surface Properties with High-Throughput DFT and Convolutional Neural Networks.
J Chem Inf Model
; 59(11): 4742-4749, 2019 11 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-31644279
9.
Dynamic Workflows for Routine Materials Discovery in Surface Science.
J Chem Inf Model
; 58(12): 2392-2400, 2018 12 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-30453739
10.
Computational exploration of borophane-supported single transition metal atoms as potential oxygen reduction and evolution electrocatalysts.
Phys Chem Chem Phys
; 20(32): 21095-21104, 2018 Aug 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30074598
11.
On the mechanism of electrochemical ammonia synthesis on the Ru catalyst.
Phys Chem Chem Phys
; 18(13): 9161-6, 2016 Apr 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26974401
12.
On the mechanism of high product selectivity for HCOOH using Pb in CO2 electroreduction.
Phys Chem Chem Phys
; 18(14): 9652-7, 2016 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-26996154
13.
Electronic structure modification of metal phthalocyanines by a carbon nanotube support for efficient oxygen reduction to hydrogen peroxide.
Nanoscale
; 16(19): 9545-9557, 2024 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-38660774
14.
Revealing the structural evolution of CuAg composites during electrochemical carbon monoxide reduction.
Nat Commun
; 15(1): 4692, 2024 Jun 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-38824127
15.
Vitamin C-induced CO2 capture enables high-rate ethylene production in CO2 electroreduction.
Nat Commun
; 15(1): 192, 2024 Jan 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-38167422
16.
Accelerated chemical science with AI.
Digit Discov
; 3(1): 23-33, 2024 Jan 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-38239898
17.
On the structure of Si(100) surface: importance of higher order correlations for buckled dimer.
J Chem Phys
; 138(20): 204709, 2013 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-23742502
18.
Accelerating the Search for New Solid Electrolytes: Exploring Vast Chemical Space with Machine Learning-Enabled Computational Calculations.
ACS Appl Mater Interfaces
; 2023 Nov 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-37924286
19.
Data-driven discovery of electrocatalysts for CO2 reduction using active motifs-based machine learning.
Nat Commun
; 14(1): 7303, 2023 Nov 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-37952012
20.
Insight into Defect Engineering of Atomically Dispersed Iron Electrocatalysts for High-Performance Proton Exchange Membrane Fuel Cell.
Adv Mater
; 35(46): e2302666, 2023 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-37548180