Detalhe da pesquisa
1.
Materials Genes of CO2 Hydrogenation on Supported Cobalt Catalysts: An Artificial Intelligence Approach Integrating Theoretical and Experimental Data.
J Am Chem Soc
; 146(8): 5433-5444, 2024 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38374731
2.
Data-Centric Heterogeneous Catalysis: Identifying Rules and Materials Genes of Alkane Selective Oxidation.
J Am Chem Soc
; 145(6): 3427-3442, 2023 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36745555
3.
Effects of Silica Modification (Mg, Al, Ca, Ti, and Zr) on Supported Cobalt Catalysts for H2-Dependent CO2 Reduction to Metabolic Intermediates.
J Am Chem Soc
; 144(46): 21232-21243, 2022 11 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-36350298
4.
Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites.
Phys Rev Lett
; 129(5): 055301, 2022 Jul 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-35960572
5.
Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence.
MRS Bull
; 46(11): 1016-1026, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-35221466
6.
Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications.
Inorg Chem
; 58(22): 14939-14980, 2019 Nov 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-31668070
7.
What Can We Learn from First Principles Multi-Scale Models in Catalysis? The Role of the Ni/Al2O3 Interface in Water-Gas Shift and Dry Reforming as a Case Study.
Chimia (Aarau)
; 73(4): 239-244, 2019 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-30975250
8.
Contrasting the Role of Ni/Al2O3 Interfaces in Water-Gas Shift and Dry Reforming of Methane.
J Am Chem Soc
; 139(47): 17128-17139, 2017 11 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-29077396
9.
Cooperativity and Dynamics Increase the Performance of NiFe Dry Reforming Catalysts.
J Am Chem Soc
; 139(5): 1937-1949, 2017 02 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-28068106
10.
Increased Back-Bonding Explains Step-Edge Reactivity and Particle Size Effect for CO Activation on Ru Nanoparticles.
J Am Chem Soc
; 138(51): 16655-16668, 2016 12 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-27992204
11.
Benzene partial hydrogenation: advances and perspectives.
Chem Soc Rev
; 44(7): 1886-97, 2015 Apr 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-25588547
12.
Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery.
Top Catal
; 65(1-4): 196-206, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-35185306
13.
Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence.
ACS Catal
; 12(4): 2223-2232, 2022 Feb 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-35223138
14.
Metal nanoparticle/ionic liquid/cellulose: new catalytically active membrane materials for hydrogenation reactions.
Biomacromolecules
; 10(7): 1888-93, 2009 Jul 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-19435363
15.
Electronic Structure-Reactivity Relationship on Ruthenium Step-Edge Sites from Carbonyl 13C Chemical Shift Analysis.
J Phys Chem Lett
; 9(12): 3348-3353, 2018 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-29851348
16.
Sputtering-deposition of Ru nanoparticles onto Al2O3 modified with imidazolium ionic liquids: synthesis, characterisation and catalysis.
Dalton Trans
; 44(6): 2827-34, 2015 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-25531917