Detalhe da pesquisa
1.
Bond Selective Photochemistry at Metal Nanoparticle Surfaces: CO Desorption from Pt and Pd.
J Am Chem Soc
; 146(18): 12431-12443, 2024 May 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-38661654
2.
Dilute Alloys Based on Au, Ag, or Cu for Efficient Catalysis: From Synthesis to Active Sites.
Chem Rev
; 122(9): 8758-8808, 2022 05 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-35254051
3.
A Priori Design of Dual-Atom Alloy Sites and Experimental Demonstration of Ethanol Dehydrogenation and Dehydration on PtCrAg.
J Am Chem Soc
; 2023 Mar 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-36888984
4.
PTML Model for Selection of Nanoparticles, Anticancer Drugs, and Vitamins in the Design of Drug-Vitamin Nanoparticle Release Systems for Cancer Cotherapy.
Mol Pharm
; 17(7): 2612-2627, 2020 07 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-32459098
5.
O2 Activation by Metal Surfaces: Implications for Bonding and Reactivity on Heterogeneous Catalysts.
Chem Rev
; 118(5): 2816-2862, 2018 03 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-29116787
6.
When more is less: Nonmonotonic trends in adsorption on clusters in alloy surfaces.
J Chem Phys
; 153(11): 111102, 2020 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32962359
7.
Machine Learning Prediction of H Adsorption Energies on Ag Alloys.
J Chem Inf Model
; 59(4): 1357-1365, 2019 04 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-30897905
8.
Effect of nanoscale flows on the surface structure of nanoporous catalysts.
J Chem Phys
; 146(21): 214703, 2017 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28576088
9.
Catalyst design for enhanced sustainability through fundamental surface chemistry.
Philos Trans A Math Phys Eng Sci
; 374(2061)2016 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-26755756
10.
Controlling O coverage and stability by alloying Au and Ag.
Phys Chem Chem Phys
; 18(38): 26844-26853, 2016 Sep 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-27722678
11.
Hydrocarbon adsorption in an aqueous environment: A computational study of alkyls on Cu(111).
J Chem Phys
; 145(7): 074702, 2016 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-27544118
12.
A unified picture of adsorption on transition metals through different atoms.
J Am Chem Soc
; 136(26): 9272-5, 2014 Jul 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-24931651
13.
Latent Variable Machine Learning Framework for Catalysis: General Models, Transfer Learning, and Interpretability.
JACS Au
; 4(1): 80-91, 2024 Jan 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38274257
14.
100% selective cyclotrimerization of acetylene to benzene on Ag(111).
Chem Sci
; 15(18): 6716-6725, 2024 May 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-38725512
15.
Recent Advances in Real-Time Time-Dependent Density Functional Theory Simulations of Plasmonic Nanostructures and Plasmonic Photocatalysis.
ACS Nanosci Au
; 3(4): 269-279, 2023 Aug 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-37601917
16.
Toward MBenes Battery Electrode Materials: Layered Molybdenum Borides for Li-Ion Batteries.
Small Methods
; 7(8): e2300193, 2023 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-37199143
17.
A density functional study of C1-C4 alkyl adsorption on Cu(111).
J Chem Phys
; 136(20): 204710, 2012 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-22667584
18.
Tuning reactivity in trimetallic dual-atom alloys: molecular-like electronic states and ensemble effects.
Chem Sci
; 13(47): 14070-14079, 2022 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36540824
19.
Nonadiabatic Hydrogen Dissociation on Copper Nanoclusters.
J Phys Chem Lett
; 9(18): 5339-5343, 2018 Sep 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-30145896
20.
New Experimental and Computational Tools for Drug Discovery. From Old Way to New Series - Part-X.
Curr Top Med Chem
; 20(25): 2279-2280, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-33153419