Theory-Aided Discovery of Metallic Catalysts for Selective Propane Dehydrogenation to Propylene

Effect of Boron Promotion on Coke Formation during Propane Dehydrogenation over Pt/γ-Al2O3 Catalysts

(2020) Mostafa Aly et al.   ACS Catalysis

Identification of Surface Structures in Pt3Cr Intermetallic Nanocatalysts

(2019) Nicole J. LiBretto et al.   CHEMISTRY OF MATERIALS

Identification of a Pt3Co Surface Intermetallic Alloy in Pt–Co Propane Dehydrogenation Catalysts

(2019) Laryssa Goncalves Cesar et al.   ACS Catalysis

Catalysis-Hub.org, an open electronic structure database for surface reactions

(2019) Kirsten T. Winther et al.   Scientific Data

Regioselective generation and reactivity control of subnanometric platinum clusters in zeolites for high-temperature catalysis

(2019) Lichen Liu et al.   NATURE MATERIALS

Rational design of selective metal catalysts for alcohol amination with ammonia

(2019) Tao Wang et al.   Nature Catalysis

Unraveling the Origins of the Synergy Effect between ZrO2 and CrOx in Supported CrZrOx for Propene Formation in Nonoxidative Propane Dehydrogenation

(2019) Shanlei Han et al.   ACS Catalysis

Identification of Pt-based catalysts for propane dehydrogenation via a probability analysis

(2018) Shenjun Zha et al.   Chemical Science

Revealing the Janus Character of the Coke Precursor in the Propane Direct Dehydrogenation on Pt Catalysts from a kMC Simulation

(2018) Zan Lian et al.   ACS Catalysis

Highly Productive Propane Dehydrogenation Catalyst Using Silica-Supported Ga–Pt Nanoparticles Generated from Single-Sites

(2018) Keith Searles et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Changes in Catalytic and Adsorptive Properties of 2 nm Pt3Mn Nanoparticles by Subsurface Atoms

(2018) Zhenwei Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Breaking the scaling relationship via thermally stable Pt/Cu single atom alloys for catalytic dehydrogenation

(2018) Guodong Sun et al.   Nature Communications

To address surface reaction network complexity using scaling relations machine learning and DFT calculations

(2017) Zachary W. Ulissi et al.   Nature Communications

The Positive Role of Hydrogen on the Dehydrogenation of Propane on Pt(111)

(2017) Stephanie Saerens et al.   ACS Catalysis

Lattice-Confined Sn (IV/II) Stabilizing Raft-Like Pt Clusters: High Selectivity and Durability in Propane Dehydrogenation

(2017) Yanru Zhu et al.   ACS Catalysis

Zinc Promotion of Platinum for Catalytic Light Alkane Dehydrogenation: Insights into Geometric and Electronic Effects

(2017) Viktor J. Cybulskis et al.   ACS Catalysis

Microstructure and Tribological Properties of Mo–40Ni–13Si Multiphase Intermetallic Alloy

(2016) Chunyan Song et al.   Materials

Al2O3Nanosheets Rich in Pentacoordinate Al3+Ions Stabilize Pt-Sn Clusters for Propane Dehydrogenation

(2015) Lei Shi 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

Size-Dependent Reaction Mechanism and Kinetics for Propane Dehydrogenation over Pt Catalysts

(2015) Jun Zhu et al.   ACS Catalysis

Catalytic Dehydrogenation of Light Alkanes on Metals and Metal Oxides

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

Sn surface-enriched Pt–Sn bimetallic nanoparticles as a selective and stable catalyst for propane dehydrogenation

(2014) Haibo Zhu et al.   JOURNAL OF CATALYSIS

Propane Dehydrogenation over Pt/TiO2–Al2O3 Catalysts

(2014) Feng Jiang et al.   ACS Catalysis

Selectivity in Propene Dehydrogenation on Pt and Pt3Sn Surfaces from First Principles

(2013) Lauri Nykänen et al.   ACS Catalysis

First-Principles Calculations of Propane Dehydrogenation over PtSn Catalysts

(2012) Ming-Lei Yang et al.   ACS Catalysis

Novel Pt/Mg(In)(Al)O catalysts for ethane and propane dehydrogenation

(2011) Pingping Sun et al.   JOURNAL OF CATALYSIS

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

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

Catalyst performance of novel Pt/Mg(Ga)(Al)O catalysts for alkane dehydrogenation

(2010) Georges Siddiqi et al.   JOURNAL OF CATALYSIS

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

Molecular Factors of Catalytic Selectivity

(2008) Gabor A. Somorjai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene

(2008) F. Studt et al.   SCIENCE