Detalhe da pesquisa
1.
Combining Renewable Electricity and Renewable Carbon: Understanding Reaction Mechanisms of Biomass-Derived Furanic Compounds for Design of Catalytic Nanomaterials.
Acc Chem Res
; 56(19): 2631-2641, 2023 Oct 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-37718487
2.
Tight-binding model predicts exciton energetics and structure for photovoltaic molecules.
Phys Chem Chem Phys
; 26(21): 15472-15483, 2024 May 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-38751347
3.
Negative Dielectric Constant of Water at a Metal Interface.
Phys Rev Lett
; 131(24): 248001, 2023 Dec 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38181128
4.
Stabilization of Dinuclear Rhodium and Iridium Clusters on Layered Titanate and Niobate Supports.
Inorg Chem
; 62(3): 1113-1121, 2023 Jan 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-36351259
5.
Hydrogen Bond Thermodynamics in Aqueous Acid Solutions: A Combined DFT and Classical Force-Field Approach.
J Phys Chem A
; 126(40): 7382-7398, 2022 Oct 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36190836
6.
Accelerated Anti-Markovnikov Alkene Hydrosilylation with Humic-Acid-Supported Electron-Deficient Platinum Single Atoms.
Angew Chem Int Ed Engl
; 60(45): 24220-24226, 2021 Nov 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-34473398
7.
Control of Molecular Bonding Strength on Metal Catalysts with Organic Monolayers for CO2 Reduction.
J Am Chem Soc
; 142(11): 5184-5193, 2020 Mar 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-32083859
8.
Tight binding models accurately predict band structures for copolymer semiconductors.
Phys Chem Chem Phys
; 22(35): 19659-19671, 2020 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32830207
9.
Polaron hopping barriers and rates in semiconducting polymers.
Phys Chem Chem Phys
; 22(7): 4032-4042, 2020 Feb 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-32025674
10.
Thermal Fluctuations Lead to Cumulative Disorder and Enhance Charge Transport in Conjugated Polymers.
Macromol Rapid Commun
; 40(15): e1900134, 2019 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-31116905
11.
Energetics of exciton binding and dissociation in polythiophenes: a tight binding approach.
Phys Chem Chem Phys
; 21(22): 11999-12011, 2019 Jun 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-31134991
12.
Elementary kinetics of nitrogen electroreduction on Fe surfaces.
J Chem Phys
; 150(4): 041708, 2019 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30709282
13.
BCC-Phased PdCu Alloy as a Highly Active Electrocatalyst for Hydrogen Oxidation in Alkaline Electrolytes.
J Am Chem Soc
; 140(48): 16580-16588, 2018 Dec 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-30396270
14.
Thermodynamics of Alkanethiol Self-Assembled Monolayer Assembly on Pd Surfaces.
Langmuir
; 34(22): 6346-6357, 2018 06 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-29767994
15.
A first-principles study of stability of surface confined mixed metal oxides with corundum structure (Fe2O3, Cr2O3, V2O3).
Phys Chem Chem Phys
; 20(10): 7073-7081, 2018 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-29479602
16.
Applied Potentials in Variable-Charge Reactive Force Fields for Electrochemical Systems.
J Phys Chem A
; 122(2): 631-638, 2018 Jan 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-29257690
17.
First-Principles Calculation of Pt Surface Energies in an Electrochemical Environment: Thermodynamic Driving Forces for Surface Faceting and Nanoparticle Reconstruction.
Langmuir
; 33(28): 7043-7052, 2017 07 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-28640641
18.
Polaron formation mechanisms in conjugated polymers.
Phys Chem Chem Phys
; 20(1): 317-331, 2017 Dec 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-29210368
19.
Identification of Second Shell Coordination in Transition Metal Species Using Theoretical XANES: Example of Ti-O-(C, Si, Ge) Complexes.
J Phys Chem A
; 121(1): 162-167, 2017 Jan 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-27951643
20.
Co-adsorption of Cations as the Cause of the Apparent pH Dependence of Hydrogen Adsorption on a Stepped Platinum Single-Crystal Electrode.
Angew Chem Int Ed Engl
; 56(47): 15025-15029, 2017 11 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-28987066