Computation-predicted, stable, and inexpensive single-atom nanocatalyst Pt@Mo2C – an important advanced material for H2 production

Low-temperature hydrogen production from water and methanol using Pt/α-MoC catalysts

(2017) Lili Lin et al.   NATURE

Single-Atom Pt as Co-Catalyst for Enhanced Photocatalytic H2 Evolution

(2016) Xiaogang Li et al.   ADVANCED MATERIALS

Insight into the mechanism about the initiation, growth and termination of the C–C chain in syngas conversion on the Co(0001) surface: a theoretical study

(2016) Guangxiang Wen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Understanding the Low-Overpotential Production of CH4 from CO2 on Mo2C Catalysts

(2016) Seok Ki Kim et al.   ACS Catalysis

Identifying trends and descriptors for selective CO2 conversion to CO over transition metal carbides

(2015) Marc D. Porosoff et al.   CHEMICAL COMMUNICATIONS

Water–gas shift catalysis over transition metals supported on molybdenum carbide

(2015) Kaiwalya D. Sabnis et al.   JOURNAL OF CATALYSIS

Probing the active sites for water–gas shift over Pt/molybdenum carbide using multi-walled carbon nanotubes

(2015) Kaiwalya D. Sabnis et al.   JOURNAL OF CATALYSIS

Structure and electronic properties of Cu nanoclusters supported on Mo2C(001) and MoC(001) surfaces

(2015) Sergio Posada-Pérez et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanistic Study on Water Gas Shift Reaction on the Fe3O4 (111) Reconstructed Surface

(2015) Liang Huang et al.   Journal of Physical Chemistry C

A Common Single-Site Pt(II)–O(OH)x– Species Stabilized by Sodium on “Active” and “Inert” Supports Catalyzes the Water-Gas Shift Reaction

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

Computational Identification of Descriptors for Selectivity in Syngas Reactions on a Mo2C Catalyst

(2015) Liwei Li et al.   ACS Catalysis

Highly Efficient Catalysis of Preferential Oxidation of CO in H2-Rich Stream by Gold Single-Atom Catalysts

(2015) Botao Qiao et al.   ACS Catalysis

A highly active, stable and synergistic Pt nanoparticles/Mo2C nanotube catalyst for methanol electro-oxidation

(2015) Kai Zhang et al.   NPG Asia Materials

Single-Atom Catalysis in Mesoporous Photovoltaics: The Principle of Utility Maximization

(2014) Yantao Shi et al.   ADVANCED MATERIALS

Charge Polarization at a Au-TiC Interface and the Generation of Highly Active and Selective Catalysts for the Low-Temperature Water-Gas Shift Reaction

(2014) José A. Rodriguez et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Visualizing the Stoichiometry of Industrial-Style Co-Mo-S Catalysts with Single-Atom Sensitivity

(2014) Yuanyuan Zhu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Molybdenum Carbide as Alternative Catalysts to Precious Metals for Highly Selective Reduction of CO2to CO

(2014) Marc D. Porosoff et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

DFT comparison of intrinsic WGS kinetics over Pd and Pt

(2014) John P. Clay et al.   JOURNAL OF CATALYSIS

First-Principles Study of C2 Oxygenates Synthesis Directly from Syngas over CoCu Bimetallic Catalysts

(2014) Xin-Chao Xu et al.   Journal of Physical Chemistry C

Tungsten Carbide Supports for Single-Atom Platinum-Based Fuel-Cell Catalysts: First-Principles Study on the Metal–Support Interactions and O2 Dissociation on WxC Low-Index Surfaces

(2014) Chee Kok Poh et al.   Journal of Physical Chemistry C

New Insights into the Structure of the C-Terminated β-Mo2C (001) Surface from First-Principles Calculations

(2014) Gian Giacomo Asara et al.   Journal of Physical Chemistry C

Theoretical and Experimental Investigations on Single-Atom Catalysis: Ir1/FeOx for CO Oxidation

(2014) Jin-Xia Liang et al.   Journal of Physical Chemistry C

CO Oxidation Catalyzed by Single Gold Atoms Supported on Aluminum Oxide Clusters

(2014) Zi-Yu Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Trends in the Hydrogen Evolution Activity of Metal Carbide Catalysts

(2014) Ronald Michalsky et al.   ACS Catalysis

Efficient and Durable Au Alloyed Pd Single-Atom Catalyst for the Ullmann Reaction of Aryl Chlorides in Water

(2014) Leilei Zhang et al.   ACS Catalysis

Direct conversion of cellulose using carbon monoxide and water on a Pt–Mo2C/C catalyst

(2013) Jing Li et al.   Energy & Environmental Science

Alumina supported Pt–Mo2C catalysts for the water–gas shift reaction

(2013) Gaowei Wang et al.   JOURNAL OF CATALYSIS

Insights into the mechanism of ethanol formation from syngas on Cu and an expanded prediction of improved Cu-based catalyst

(2013) Riguang Zhang et al.   JOURNAL OF CATALYSIS

CO Oxidation on Supported Single Pt Atoms: Experimental and ab Initio Density Functional Studies of CO Interaction with Pt Atom on θ-Al2O3(010) Surface

(2013) Melanie Moses-DeBusk et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Remarkable Performance of Ir1/FeOx Single-Atom Catalyst in Water Gas Shift Reaction

(2013) Jian Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atomic and electronic structure of molybdenum carbide phases: bulk and low Miller-index surfaces

(2013) José Roberto dos Santos Politi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Adsorption, Dissociation, and Hydrogenation of CO2 on WC(0001) and WC-Co Alloy Surfaces Investigated with Theoretical Calculations

(2012) Shiuan-Yau Wu et al.   Journal of Physical Chemistry C

Size and Support Effects for the Water–Gas Shift Catalysis over Gold Nanoparticles Supported on Model Al2O3 and TiO2

(2012) Mayank Shekhar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dense Carbide/Metal Composite Membranes for Hydrogen Separations Without Platinum Group Metals

(2011) Sabina K. Gade et al.   ADVANCED MATERIALS

High Activity Carbide Supported Catalysts for Water Gas Shift

(2011) Neil M. Schweitzer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Support-dependent activity of noble metal substituted oxide catalysts for the water gas shift reaction

(2010) Parag A. Deshpande et al.   AICHE JOURNAL

Effects of sulfur on Mo2C and Pt/Mo2C catalysts: Water gas shift reaction

(2010) Joshua A. Schaidle et al.   JOURNAL OF CATALYSIS

Water Gas Shift Catalysis

(2009) Chandra Ratnasamy et al.   CATALYSIS REVIEWS-SCIENCE AND ENGINEERING

Insight into CH4Formation in Iron-Catalyzed Fischer−Tropsch Synthesis

(2009) Chun-Fang Huo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A first-principles study on structural and electronic properties of Mo2C

(2009) Hailiang Liu et al.   SCRIPTA MATERIALIA

Structure and stability of β-Mo2C bulk and surfaces: A density functional theory study

(2009) Xue-Rong Shi et al.   SURFACE SCIENCE

Mechanism of the Water Gas Shift Reaction on Pt:  First Principles, Experiments, and Microkinetic Modeling

(2008) Lars C. Grabow et al.   Journal of Physical Chemistry C