Operando DRIFTS-MS investigation on plasmon-thermal coupling mechanism of CO2 hydrogenation on Au/TiO2: The enhanced generation of oxygen vacancies

Unravelling the C C coupling in CO2 photocatalytic reduction with H2O on Au/TiO2-x: Combination of plasmonic excitation and oxygen vacancy

(2021) Ke Wang et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

CO2 Reduction to Methanol on Au/CeO2 Catalysts: Mechanistic Insights from Activation/Deactivation and SSITKA Measurements

(2020) Azita Rezvani et al.   ACS Catalysis

Light Enhanced CO2 Reduction to CH4 using Non-Precious Transition Metal Catalysts

(2020) Sana Ullah et al.   ACS Sustainable Chemistry & Engineering

Light-driven methane dry reforming with single atomic site antenna-reactor plasmonic photocatalysts

(2020) Linan Zhou et al.   Nature Energy

Synergistic ultraviolet and visible light photo-activation enables intensified low-temperature methanol synthesis over copper/zinc oxide/alumina

(2020) Bingqiao Xie et al.   Nature Communications

Simple experimental procedures to distinguish photothermal from hot-carrier processes in plasmonics

(2020) Guillaume Baffou et al.   Light-Science & Applications

Unlocking the potential of the formate pathway in the photo-assisted Sabatier reaction

(2020) Tze Hao Tan et al.   Nature Catalysis

Mechanism of CO2 Photocatalytic Reduction to Methane and Methanol on Defected Anatase TiO2 (101): A DFT Study

(2019) Ji-Yuan Liu et al.   Journal of Physical Chemistry C

Coupling of Solar Energy and Thermal Energy for Carbon Dioxide Reduction: Status and Prospects

(2019) Zhou-jun Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Confirming nonthermal plasmonic effects enhance CO2 methanation on Rh/TiO2 catalysts

(2019) Xueqian Li et al.   Nano Research

Photo-assisted methanol synthesis via CO2 reduction under ambient pressure over plasmonic Cu/ZnO catalysts

(2019) Zhou-jun Wang et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

The effect of reactants adsorption and products desorption for Au/TiO2 in catalyzing CO oxidation

(2019) Shuai Wei et al.   JOURNAL OF CATALYSIS

Carboxyl intermediate formation via an in situ-generated metastable active site during water-gas shift catalysis

(2019) Nicholas C. Nelson et al.   Nature Catalysis

Hydrogenated Blue Titania for Efficient Solar to Chemical Conversions: Preparation, Characterization, and Reaction Mechanism of CO2 Reduction

(2018) Guoheng Yin et al.   ACS Catalysis

Unravelling the Role of Oxygen Vacancies in the Mechanism of the Reverse Water–Gas Shift Reaction by Operando DRIFTS and Ultraviolet–Visible Spectroscopy

(2018) Luis F. Bobadilla et al.   ACS Catalysis

Density functional theory study of thermodynamic and kinetic isotope effects of H2/D2 dissociative adsorption on transition metals

(2018) Yunhai Bai et al.   Catalysis Science & Technology

H2 Oxidation over Supported Au Nanoparticle Catalysts: Evidence for Heterolytic H2 Activation at the Metal-Support Interface

(2018) Todd Whittaker et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantifying hot carrier and thermal contributions in plasmonic photocatalysis

(2018) Linan Zhou et al.   SCIENCE

Advanced capabilities for materials modelling with Quantum ESPRESSO

(2017) P Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Increasing Oxide Reducibility: The Role of Metal/Oxide Interfaces in the Formation of Oxygen Vacancies

(2017) Antonio Ruiz Puigdollers et al.   ACS Catalysis

Determination of Schottky barrier height and enhanced photoelectron generation in novel plasmonic immobilized multisegmented (Au/TiO2) nanorod arrays (NRAs) suitable for solar energy conversion applications

(2017) Muhammad Shahid Arshad et al.   Journal of Materials Chemistry C

Catalysis and Photocatalysis by Nanoscale Au/TiO2: Perspectives for Renewable Energy

(2017) Dimitar A. Panayotov et al.   ACS Energy Letters

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT

(2016) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Observation of an Inverse Kinetic Isotope Effect in Oxygen Evolution Electrochemistry

(2016) Edmund C. M. Tse et al.   ACS Catalysis

Engineering Coexposed {001} and {101} Facets in Oxygen-Deficient TiO2 Nanocrystals for Enhanced CO2 Photoreduction under Visible Light

(2016) Lianjun Liu et al.   ACS Catalysis

Identification of relevant active sites and a mechanism study for reverse water gas shift reaction over Pt/CeO 2 catalysts

(2016) Xiaodong Chen et al.   Journal of Energy Chemistry

Low Pressure CO2 Hydrogenation to Methanol over Gold Nanoparticles Activated on a CeOx/TiO2 Interface

(2015) Xiaofang Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the mechanism of methanol photooxidation to methylformate and carbon dioxide on TiO2: an operando-FTIR study

(2015) Mohamad El-Roz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Promotion of Ammonium Formate and Formic Acid Decomposition over Au/TiO2 by Support Basicity under SCR-Relevant Conditions

(2015) Manasa Sridhar et al.   ACS Catalysis

CO Oxidation at the Au/TiO2 Boundary: The Role of the Au/Ti5c Site

(2015) Zhiyao Duan et al.   ACS Catalysis

Mechanism of CO2 Hydrogenation on Pd/Al2O3 Catalysts: Kinetics and Transient DRIFTS-MS Studies

(2015) Xiang Wang et al.   ACS Catalysis

Solar Hydrogen Production by Plasmonic Au–TiO2 Catalysts: Impact of Synthesis Protocol and TiO2 Phase on Charge Transfer Efficiency and H2 Evolution Rates

(2015) Jacqueline B. Priebe et al.   ACS Catalysis

Plasmon-enhanced reverse water gas shift reaction over oxide supported Au catalysts

(2015) Aniruddha A. Upadhye et al.   Catalysis Science & Technology

CO2Hydrogenation to Methanol on Supported Au Catalysts under Moderate Reaction Conditions: Support and Particle Size Effects

(2014) Yeusy Hartadi et al.   ChemSusChem

Pseudopotentials periodic table: From H to Pu

(2014) Andrea Dal Corso   COMPUTATIONAL MATERIALS SCIENCE

Improved initial guess for minimum energy path calculations

(2014) Søren Smidstrup et al.   JOURNAL OF CHEMICAL PHYSICS

A Study on the Mechanism for H2 Dissociation on Au/TiO2 Catalysts

(2014) Keju Sun et al.   Journal of Physical Chemistry C

Surface Plasmon-Driven Water Reduction: Gold Nanoparticle Size Matters

(2014) Kun Qian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Plasmon-induced hot-electron generation at nanoparticle/metal-oxide interfaces for photovoltaic and photocatalytic devices

(2014) César Clavero   Nature Photonics

Molecular Understanding of Reactivity and Selectivity for Methanol Oxidation at the Au/TiO2Interface

(2013) Matteo Farnesi Camellone et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Water Reduction with Visible Light: Synergy between Optical Transitions and Electron Transfer in Au-TiO2Catalysts Visualized by In situ EPR Spectroscopy

(2013) Jacqueline B. Priebe et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Facile Synthesis of Thermal- and Photostable Titania with Paramagnetic Oxygen Vacancies for Visible-Light Photocatalysis

(2013) Xiaoxin Zou et al.   CHEMISTRY-A EUROPEAN JOURNAL

Pseudopotentials for high-throughput DFT calculations

(2013) Kevin F. Garrity et al.   COMPUTATIONAL MATERIALS SCIENCE

Room temperature ferromagnetism in defective TiO2 nanoparticles: Role of surface and grain boundary oxygen vacancies

(2013) Biswajit Choudhury et al.   JOURNAL OF APPLIED PHYSICS

TAP reactor studies of the oxidizing capability of CO2 on a Au/CeO2 catalyst – A first step toward identifying a redox mechanism in the Reverse Water–Gas Shift reaction

(2013) L.C. Wang et al.   JOURNAL OF CATALYSIS

Effect of gold loading and TiO2 support composition on the activity of Au/TiO2 photocatalysts for H2 production from ethanol–water mixtures

(2013) Vedran Jovic et al.   JOURNAL OF CATALYSIS

Relative Photooxidation and Photoreduction Activities of the {100}, {101}, and {001} Surfaces of Anatase TiO2

(2013) Xiangchao Ma et al.   LANGMUIR

Crystal-Plane Effects on the Catalytic Properties of Au/TiO2

(2013) Lichen Liu et al.   ACS Catalysis

CO oxidation studies over cluster-derived Au/TiO2 and AUROlite™ Au/TiO2 catalysts using DRIFTS

(2012) Sarthak Gaur et al.   CATALYSIS TODAY

Spontaneous Dissociation of CO2 to CO on Defective Surface of Cu(I)/TiO2–x Nanoparticles at Room Temperature

(2012) Lianjun Liu et al.   Journal of Physical Chemistry C

Effect of Nature and Location of Defects on Bandgap Narrowing in Black TiO2 Nanoparticles

(2012) Alberto Naldoni et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hot Electrons Do the Impossible: Plasmon-Induced Dissociation of H2 on Au

(2012) Shaunak Mukherjee et al.   NANO LETTERS

A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2

(2012) Bo Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photocatalytic CO2 Reduction with H2O on TiO2 Nanocrystals: Comparison of Anatase, Rutile, and Brookite Polymorphs and Exploration of Surface Chemistry

(2012) Lianjun Liu et al.   ACS Catalysis

Low-Temperature Catalytic H2 Oxidation over Au Nanoparticle/TiO2 Dual Perimeter Sites

(2011) Isabel Xiaoye Green et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Oxygen-Deficient TiO2−δ Nanoparticles via Hydrogen Reduction for High Rate Capability Lithium Batteries

(2011) Ji-Yong Shin et al.   CHEMISTRY OF MATERIALS

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Carbon dioxide adsorption on oxide nanoparticle surfaces

(2010) Jonas Baltrusaitis et al.   CHEMICAL ENGINEERING JOURNAL

Effect of water on formic acid photocatalytic decomposition on TiO2 and Pt/TiO2

(2010) Kristi L. Miller et al.   JOURNAL OF CATALYSIS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Intrinsic n-type Defect Formation in TiO2: A Comparison of Rutile and Anatase from GGA+U Calculations

(2010) Benjamin J. Morgan et al.   Journal of Physical Chemistry C

Reactive oxygen on a Au/TiO2 supported catalyst

(2009) M. Kotobuki et al.   JOURNAL OF CATALYSIS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Warming caused by cumulative carbon emissions towards the trillionth tonne

(2009) Myles R. Allen et al.   NATURE

Quantum Differences between Heavy and Light Water

(2008) A. K. Soper et al.   PHYSICAL REVIEW LETTERS