Role of Polarons in Single-Atom Catalysts: Case Study of Me1 [Au1, Pt1, and Rh1] on TiO2(110)

Direct Visualization of a Gold Nanoparticle Electron Trapping Effect

(2022) Oscar Bentley Jerdmyr Williams et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polarons in materials

(2021) Cesare Franchini et al.   Nature Reviews Materials

Interplay between invasive single atom Pt and native oxygen vacancy in rutile TiO2(110) surface: A theoretical study

(2021) Xiaoyang Wang et al.   Nano Research

A DFT+U study about agglomeration of Au atoms on reduced surface of rutile TiO2 (110)

(2021) Lei Li et al.   MATERIALS CHEMISTRY AND PHYSICS

Photoemission core level binding energies from multiple sized nanoparticles on the same support: TiO2(110)/Au

(2020) Andrew Mellor et al.   JOURNAL OF CHEMICAL PHYSICS

Bayesian Optimization for Calibrating and Selecting Hybrid-Density Functional Models

(2020) R. A. Vargas−Hernández   JOURNAL OF PHYSICAL CHEMISTRY A

Resolving the adsorption of molecular O2on the rutile TiO2(110) surface by noncontact atomic force microscopy

(2020) Igor Sokolović et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Interplay between Adsorbates and Polarons: CO on Rutile TiO2(110)

(2019) Michele Reticcioli et al.   PHYSICAL REVIEW LETTERS

Non defect-stabilized thermally stable single-atom catalyst

(2019) Rui Lang et al.   Nature Communications

Methane Chemisorption on Oxide‐Supported Pt Single Atom

(2019) Victor Fung et al.   CHEMPHYSCHEM

Rh single atoms on TiO2 dynamically respond to reaction conditions by adapting their site

(2019) Yan Tang et al.   Nature Communications

Rutile TiO2 supported single atom Au catalyst: A facile approach to enhance methanol dehydrogenation

(2019) Ju Wang et al.   Molecular Catalysis

Defect Effects on TiO2 Nanosheets: Stabilizing Single Atomic Site Au and Promoting Catalytic Properties

(2018) Jiawei Wan et al.   ADVANCED MATERIALS

Cation vacancy stabilization of single-atomic-site Pt1/Ni(OH)x catalyst for diboration of alkynes and alkenes

(2018) Jian Zhang et al.   Nature Communications

Surface Polarons Reducing Overpotentials in the Oxygen Evolution Reaction

(2018) Patrick Gono et al.   ACS Catalysis

Direct Visualization of Au Atoms Bound to TiO2(110) O-Vacancies

(2017) Andrew Mellor et al.   Journal of Physical Chemistry C

Low noise current preamplifier for qPlus sensor deflection signal detection in atomic force microscopy at room and low temperatures

(2017) Ferdinand Huber et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

Electron-phonon interactions from first principles

(2017) Feliciano Giustino   REVIEWS OF MODERN PHYSICS

Single-Atom Catalysts: Emerging Multifunctional Materials in Heterogeneous Catalysis

(2017) Huabin Zhang et al.   Advanced Energy Materials

Atomically dispersed supported metal catalysts: perspectives and suggestions for future research

(2017) Bruce C. Gates et al.   Catalysis Science & Technology

Scenarios of polaron-involved molecular adsorption on reduced TiO2(110) surfaces

(2017) Yunjun Cao et al.   Scientific Reports

Heterogeneous Catalysis: Understanding for Designing, and Designing for Applications

(2016) Avelino Corma   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

DFT + U investigation on the adsorption and initial decomposition of methylamine by a Pt single-atom catalyst supported on rutile (110) TiO 2

(2016) Cun-Qin Lv et al.   APPLIED SURFACE SCIENCE

Donor defects and small polarons on the TiO2(110) surface

(2016) P. G. Moses et al.   JOURNAL OF APPLIED PHYSICS

Thermally stable single-atom platinum-on-ceria catalysts via atom trapping

(2016) J. Jones et al.   SCIENCE

Catalysis by Supported Single Metal Atoms

(2016) Jingyue Liu   ACS Catalysis

The Power of Single-Atom Catalysis

(2015) Suxia Liang et al.   ChemCatChem

Pt atoms adsorbed onTiO2(110)−(1×1)studied with noncontact atomic force microscopy and first-principles simulations

(2015) Delia Fernández-Torre et al.   PHYSICAL REVIEW B

Molecular understandings on the activation of light hydrocarbons over heterogeneous catalysts

(2015) Zhi-Jian Zhao et al.   Chemical Science

The growth of ultra-thin zirconia films on Pd3Zr(0 0 0 1)

(2014) J I J Choi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Occupation matrix control of d- and f-electron localisations using DFT + U

(2014) Jeremy P. Allen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct View at Excess Electrons inTiO2Rutile and Anatase

(2014) Martin Setvin et al.   PHYSICAL REVIEW LETTERS

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

(2013) Xiao-Feng Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Direct Imaging of Pt Single Atoms Adsorbed on TiO2 (110) Surfaces

(2013) Teng-Yuan Chang et al.   NANO LETTERS

Dual behavior of excess electrons in rutile TiO2

(2013) A. Janotti et al.   Physica Status Solidi-Rapid Research Letters

Quantitative theory of the oxygen vacancy and carrier self-trapping in bulk TiO2

(2012) Peter Deák et al.   PHYSICAL REVIEW B

Distribution of Ti3+ Surface Sites in Reduced TiO2

(2011) N. Aaron Deskins et al.   Journal of Physical Chemistry C

Single-atom catalysis of CO oxidation using Pt1/FeO x

(2011) Botao Qiao et al.   Nature Chemistry

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Electron traps and their effect on the surface chemistry of TiO2(110)

(2010) A. C. Papageorgiou et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Imaging Consecutive Steps of O2 Reaction with Hydroxylated TiO2(110): Identification of HO2 and Terminal OH Intermediates

(2009) Yingge Du et al.   Journal of Physical Chemistry C

Reduced and n-Type Doped TiO2: Nature of Ti3+ Species

(2009) Cristiana Di Valentin et al.   Journal of Physical Chemistry C

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Chemical reactions on rutile TiO2(110)

(2008) Chi Lun Pang et al.   CHEMICAL SOCIETY REVIEWS