Rational Design of Single-Atom-Doped Ga2O3 Catalysts for Propane Dehydrogenation: Breaking through Volcano Plot by Lewis Acid–Base Interactions

Defective TiO2 for Propane Dehydrogenation

(2020) Chun-Feng Li et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Dual-Function Catalysis in Propane Dehydrogenation over Pt1 -Ga2 O3 Catalyst: Insights from a Microkinetic Analysis

(2020) Qing-Yu Chang et al.   AICHE JOURNAL

Ultrahigh-Loading of Ir Single Atoms on NiO Matrix to Dramatically Enhance Oxygen Evolution Reaction

(2020) Qi Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Size Dependence of Pt Catalysts for Propane Dehydrogenation: from Atomically Dispersed to Nanoparticles

(2020) Wei Zhang et al.   ACS Catalysis

Tuning Adsorption and Catalytic Properties of α-Cr2O3 and ZnO in Propane Dehydrogenation by Creating Oxygen Vacancy and Doping Single Pt Atom: A Comparative First-Principles Study

(2019) Qingyu Chang et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Origin of Chemisorption Energy Scaling Relations over Perovskite Surfaces

(2019) Yang Li et al.   Journal of Physical Chemistry C

Single Au Anion Can Catalyze Acetylene Hydrochlorination: Tunable Catalytic Performance from Rational Doping

(2019) Sajjad Ali et al.   Journal of Physical Chemistry C

Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors

(2019) Zhi-Jian Zhao et al.   Nature Reviews Materials

Hydroxyl-Mediated Non-oxidative Propane Dehydrogenation over VO x /γ-Al2 O3 Catalysts with Improved Stability

(2018) Zhi-Jian Zhao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Sintering-Resistant Pt on Ga2O3 Rods for Propane Dehydrogenation: The Morphology Matters

(2018) Yong Xu et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Control of coordinatively unsaturated Zr sites in ZrO2 for efficient C–H bond activation

(2018) Yaoyuan Zhang et al.   Nature Communications

An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces

(2018) Colin F. Dickens et al.   SURFACE SCIENCE

ZrO 2 -based unconventional catalysts for non-oxidative propane dehydrogenation: Factors determining catalytic activity

(2017) Tatyana Otroshchenko et al.   JOURNAL OF CATALYSIS

Theoretical Insights into Methane C–H Bond Activation on Alkaline Metal Oxides

(2017) Hassan Aljama et al.   Journal of Physical Chemistry C

The Degree of Rate Control: A Powerful Tool for Catalysis Research

(2017) Charles T. Campbell   ACS Catalysis

Monoclinic Ga2O3 (100) surface as a robust photocatalyst for water-splitting

(2017) Yaqiang Ma et al.   RSC Advances

Effects of Ga doping on Pt/CeO2 -Al2 O3 catalysts for propane dehydrogenation

(2016) Tuo Wang et al.   AICHE JOURNAL

Water Adsorption and Dissociation on Ceria-Supported Single-Atom Catalysts: A First-Principles DFT+U Investigation

(2016) Zhong-Kang Han et al.   CHEMISTRY-A EUROPEAN JOURNAL

Unexpected C–C Bond Cleavage Mechanism in Ethylene Combustion at Low Temperature: Origin and Implications

(2016) Hai-Feng Wang et al.   ACS Catalysis

Nature of the Active Sites of VOx/Al2O3 Catalysts for Propane Dehydrogenation

(2016) Gang Liu et al.   ACS Catalysis

Physicochemical Stabilization of Pt against Sintering for a Dehydrogenation Catalyst with High Activity, Selectivity, and Durability

(2016) Juhwan Im et al.   ACS Catalysis

Catalysis by Supported Single Metal Atoms

(2016) Jingyue Liu   ACS Catalysis

Platinum-Modified ZnO/Al2O3 for Propane Dehydrogenation: Minimized Platinum Usage and Improved Catalytic Stability

(2016) Gang Liu et al.   ACS Catalysis

ZrO2-Based Alternatives to Conventional Propane Dehydrogenation Catalysts: Active Sites, Design, and Performance

(2015) Tatyana Otroshchenko et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends

(2015) Andrew J. Medford et al.   CATALYSIS LETTERS

From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

(2015) Andrew J. Medford et al.   JOURNAL OF CATALYSIS

Tailoring the electronic structure of β-Ga2O3 by non-metal doping from hybrid density functional theory calculations

(2015) Weiyan Guo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular understandings on the activation of light hydrocarbons over heterogeneous catalysts

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

Platinum-Promoted Ga/Al2O3as Highly Active, Selective, and Stable Catalyst for the Dehydrogenation of Propane

(2014) Jesper J. H. B. Sattler et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Catalytic Dehydrogenation of Light Alkanes on Metals and Metal Oxides

(2014) Jesper J. H. B. Sattler et al.   CHEMICAL REVIEWS

Propane Dehydrogenation over Pt/TiO2–Al2O3 Catalysts

(2014) Feng Jiang et al.   ACS Catalysis

Catalysis by Doped Oxides

(2013) Eric W. McFarland et al.   CHEMICAL REVIEWS

Chemistry of Lewis Acid–Base Pairs on Oxide Surfaces

(2012) Horia Metiu et al.   Journal of Physical Chemistry C

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Hydrogen Adsorption on Ga2O3 Surface: A Combined Experimental and Computational Study

(2011) Yun-xiang Pan et al.   Journal of Physical Chemistry C

DFT study of propane dehydrogenation on Pt catalyst: effects of step sites

(2011) Ming-Lei Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density functional study of the chemisorption of C1, C2 and C3 intermediates in propane dissociation on Pt(111)

(2010) Ming-Lei Yang et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates

(2009) Carsten Stegelmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stability of formate species on β-Ga2O3

(2009) M. Calatayud et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS