Victor Batista

Followers

Following

Public Views

Tom F. Wright

University of Sussex

Scott Nelson

The University of Georgia

Araceli González Vázquez

CSIC (Consejo Superior de Investigaciones Científicas-Spanish National Research Council)

Frédérique Langue G.

Centre National de la Recherche Scientifique / French National Centre for Scientific Research

Fidel J Tavárez

Queens College of the City University of New York

Thomás A S Haddad

Universidade de São Paulo

Stefano Villani

University of Maryland

Ruth Van Dyke

Binghamton University

Guillaume Calafat

Université Paris 1 - Panthéon-Sorbonne

Benita Sampedro

Hofstra University

Interests

Uploads

Papers by Victor Batista

Multihole water oxidation catalysis on haematite photoanodes revealed by operando spectroelectrochemistry and DFT

Nature Chemistry, Oct 21, 2019

Download

Observation of a potential-dependent switch of water-oxidation mechanism on Co-oxide-based catalysts

Chem, 2021

Summary O–O bond formation is a key elementary step of the water-oxidation reaction. However, it ... more Summary O–O bond formation is a key elementary step of the water-oxidation reaction. However, it is still unclear how the mechanism of O–O coupling depends on the applied electrode potential. Herein, using water-in-salt electrolytes, we systematically altered the water activity, which enabled us to probe the O–O bond-forming mechanism on heterogeneous Co-based catalysts as a function of applied potential. We discovered that the water-oxidation mechanism is sensitive to the applied potential: At relatively low driving force, the reaction proceeds through an intramolecular oxygen coupling mechanism, whereas the water nucleophilic attack mechanism prevails at high driving force. The observed mechanistic switch has major implications for the understanding and control of the water-oxidation reaction on heterogeneous catalysts.

Multihole water oxidation catalysis on haematite photoanodes revealed by operando spectroelectrochemistry and DFT

Nature Chemistry, 2019

Download

Direct Interfacial Electron Transfer from High-Potential Porphyrins into Semiconductor Surfaces: A Comparison of Linkers and Anchoring Groups

The Journal of Physical Chemistry C, 2018

Download

Vibronic Effects in the Ultrafast Interfacial Electron Transfer of Perylene-Sensitized TiO2 Surfaces

The Journal of Physical Chemistry C, 2019

Download

Inverse Design of a Catalyst for Aqueous CO/CO2 Conversion Informed by the NiII–Iminothiolate Complex

Inorganic Chemistry, 2018

Download

Hydrophobic CuO Nanosheets Functionalized with Organic Adsorbates

Journal of the American Chemical Society, Feb 7, 2018

A new class of hydrophobic CuO nanosheets is introduced by functionalization of the cupric oxide ... more A new class of hydrophobic CuO nanosheets is introduced by functionalization of the cupric oxide surface with p-xylene, toluene, hexane, methylcyclohexane, and chlorobenzene. The resulting nanosheets exhibit a wide range of contact angles from 146° (p-xylene) to 27° (chlorobenzene) due to significant changes in surface composition induced by functionalization, as revealed by XPS and ATR-FTIR spectroscopies and computational modeling. Aromatic adsorbates are stable even up to 250-350 °C since they covalently bind to the surface as alkoxides, upon reaction with the surface as shown by DFT calculations and FTIR and H NMR spectroscopy. The resulting hydrophobicity correlates with H temperature-programmed reduction (H-TPR) stability, which therefore provides a practical gauge of hydrophobicity.

Download

$Research paper thumbnail of {"__content__"=>"Investigating the Role of Copper Oxide in Electrochemical COReduction in Real Time.", "sub"=>{"__content__"=>"2"}}$

{"__content__"=>"Investigating the Role of Copper Oxide in Electrochemical COReduction in Real Time.", "sub"=>{"__content__"=>"2"}}

ACS applied materials & interfaces, Jan 26, 2018

Copper oxides have been of considerable interest as electrocatalysts for COreduction (CO2R) in aq... more Copper oxides have been of considerable interest as electrocatalysts for COreduction (CO2R) in aqueous electrolytes. However, their role as an active catalyst in reducing the required overpotential and improving the selectivity of reaction compared with that of polycrystalline copper remains controversial. Here, we introduce the use of selected-ion flow tube mass spectrometry, in concert with chronopotentiometry, in situ Raman spectroscopy, and computational modeling, to investigate CO2R on CuO nanoneedles, CuO nanocrystals, and CuO nanoparticles. We show experimentally that the selective formation of gaseous Cproducts (i.e., ethylene) in CO2R is preceded by the reduction of the copper oxide (CuOR) surface to metallic copper. On the basis of density functional theory modeling, CO2R products are not formed as long as CuO is present at the surface because CuOR is kinetically and energetically more favorable than CO2R.

Download

Linker Length-Dependent Electron-Injection Dynamics of Trimesitylporphyrins on SnO2 Films

The Journal of Physical Chemistry C, 2017

Download

High-Potential Porphyrins Supported on SnO2 and TiO2 Surfaces for Photoelectrochemical Applications

The Journal of Physical Chemistry C, 2016

Download

Heterogenized Iridium Water-Oxidation Catalyst from a Silatrane Precursor

ACS Catalysis, 2016

Download

Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-Ray Scattering and EXAFS Spectroscopy

Journal of the American Chemical Society, May 18, 2016

The solution structures of highly active Ir water-oxidation catalysts are elucidated by combining... more The solution structures of highly active Ir water-oxidation catalysts are elucidated by combining density functional theory, high-energy X-ray scattering (HEXS) and extended X-ray absorption fine structure (EXAFS) spectroscopy. We find that the catalysts are Ir dimers with mono-μ-oxo cores and terminal anionic ligands, generated in situ through par-tial oxidation of a common catalyst precursor. The pro-posed structures are supported by 1H and 17O NMR, EPR, resonance Raman and UV-visible spectra, electrophoresis, etc. Our findings are particularly valuable to understand the mechanism of water oxidation by highly reactive Ir catalysts. Importantly, our DFT-EXAFS-HEXS methodology provides a new in-situ technique for characterization of active species in catalytic systems.

Download

Crucial Role of Nuclear Dynamics for Electron Injection in a Dye–Semiconductor Complex

The Journal of Physical Chemistry Letters, 2015

Download

Characterization of siloxane adsorbates covalently attached to TiO 2

SPIE Proceedings, 2008

Download

Ultrafast Photooxidation of Mn(II)−Terpyridine Complexes Covalently Attached to TiO2 Nanoparticles

The Journal of Physical Chemistry C, 2007

Download

Efficiency of Interfacial Electron Transfer from Zn-Porphyrin Dyes into TiO2 Correlated to the Linker Single Molecule Conductance

The Journal of Physical Chemistry C, 2013

Download

Excited-State Intramolecular Hydrogen Transfer (ESIHT) of 1,8-Dihydroxy-9,10-anthraquinone (DHAQ) Characterized by Ultrafast Electronic and Vibrational Spectroscopy and Computational Modeling

The Journal of Physical Chemistry A, 2014

We combine ultrafast electronic and vibrational spectroscopy and computational modeling to invest... more We combine ultrafast electronic and vibrational spectroscopy and computational modeling to investigate the photoinduced excited-state intramolecular hydrogen-transfer dynamics in 1,8-dihydroxy-9,10-anthraquinone (DHAQ) in tetrachloroethene, acetonitrile, dimethyl sulfoxide, and methanol. We analyze the electronic excited states of DHAQ with various possible hydrogen-bonding schemes and provide a general description of the electronic excited-state dynamics based on a systematic analysis of femtosecond UV/vis and UV/IR pump-probe spectroscopic data. Upon photoabsorption at 400 nm, the S2 electronic excited state is initially populated, followed by a rapid equilibration within 150 fs through population transfer to the S1 state where DHAQ exhibits ESIHT dynamics. In this equilibration process, the excited-state population is distributed between the 9,10-quinone (S2) and 1,10-quinone (S1) states while undergoing vibrational energy redistribution, vibrational cooling, and solvation dynamics on the 0.1-50 ps time scale. Transient UV/vis pump-probe data in methanol also suggest additional relaxation dynamics on the subnanosecond time scale, which we tentatively ascribe to hydrogen bond dynamics of DHAQ with the protic solvent, affecting the equilibrium population dynamics within the S2 and S1 electronic excited states. Ultimately, the two excited singlet states decay with a solvent-dependent time constant ranging from 139 to 210 ps. The concomitant electronic ground-state recovery is, however, only partial because a large fraction of the population relaxes to the first triplet state. From the similarity of the time scales involved, we conjecture that the solvent plays a crucial role in breaking the intramolecular hydrogen bond of DHAQ during the S2/S1 relaxation to either the ground or triplet state.

Acetylacetonate Anchors for Robust Functionalization of TiO2 Nanoparticles with Mn(II)−Terpyridine Complexes

Journal of the American Chemical Society, 2008

Download

Quantum Dynamics Simulations of Interfacial Electron Transfer in Sensitized TiO2 Semiconductors

Journal of the American Chemical Society, 2003

Download

Inverse Design and Synthesis of acac-Coumarin Anchors for Robust TiO2 Sensitization

Journal of the American Chemical Society, 2011

Download

Multihole water oxidation catalysis on haematite photoanodes revealed by operando spectroelectrochemistry and DFT

Nature Chemistry, Oct 21, 2019

Download

Observation of a potential-dependent switch of water-oxidation mechanism on Co-oxide-based catalysts

Chem, 2021

Multihole water oxidation catalysis on haematite photoanodes revealed by operando spectroelectrochemistry and DFT

Nature Chemistry, 2019

Download

Direct Interfacial Electron Transfer from High-Potential Porphyrins into Semiconductor Surfaces: A Comparison of Linkers and Anchoring Groups

The Journal of Physical Chemistry C, 2018

Download

Vibronic Effects in the Ultrafast Interfacial Electron Transfer of Perylene-Sensitized TiO2 Surfaces

The Journal of Physical Chemistry C, 2019

Download

Inverse Design of a Catalyst for Aqueous CO/CO2 Conversion Informed by the NiII–Iminothiolate Complex

Inorganic Chemistry, 2018

Download

Hydrophobic CuO Nanosheets Functionalized with Organic Adsorbates

Journal of the American Chemical Society, Feb 7, 2018

Download

$Research paper thumbnail of {"__content__"=>"Investigating the Role of Copper Oxide in Electrochemical COReduction in Real Time.", "sub"=>{"__content__"=>"2"}}$

{"__content__"=>"Investigating the Role of Copper Oxide in Electrochemical COReduction in Real Time.", "sub"=>{"__content__"=>"2"}}

ACS applied materials & interfaces, Jan 26, 2018

Download

Linker Length-Dependent Electron-Injection Dynamics of Trimesitylporphyrins on SnO2 Films

The Journal of Physical Chemistry C, 2017

Download

High-Potential Porphyrins Supported on SnO2 and TiO2 Surfaces for Photoelectrochemical Applications

The Journal of Physical Chemistry C, 2016

Download

Heterogenized Iridium Water-Oxidation Catalyst from a Silatrane Precursor

ACS Catalysis, 2016

Download