A first-principles microkinetic study on the hydrogenation of carbon dioxide over Cu(211) in the presence of water

Methanol Synthesis by CO2 Hydrogenation over Cu/ZnO/Al2 O3 Catalysts under Fluctuating Conditions

(2018) Alexander Zurbel et al.   CHEMIE INGENIEUR TECHNIK

Mechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products

(2018) Alejandro J. Garza et al.   ACS Catalysis

Insights into Different Products of Nitrosobenzene and Nitrobenzene Hydrogenation on Pd(111) under Realistic Reaction Conditions

(2018) Lidong Zhang et al.   Journal of Physical Chemistry C

Insight into the NH3-Assisted Selective Catalytic Reduction of NO on β-MnO2(110): Reaction Mechanism, Activity Descriptor, and Evolution from a Pristine State to a Steady State

(2018) Haiyang Yuan et al.   ACS Catalysis

Response to Comment on “Active sites for CO2hydrogenation to methanol on Cu/ZnO catalysts”

(2017) Shyam Kattel et al.   SCIENCE

Insights into the selective catalytic reduction of NO by NH3 over Mn3O4(110): a DFT study coupled with microkinetic analysis

(2017) Mingxia Yang et al.   Science China-Chemistry

Highly Selective Conversion of Carbon Dioxide to Lower Olefins

(2017) Zelong Li et al.   ACS Catalysis

A highly selective and stable ZnO-ZrO 2 solid solution catalyst for CO 2 hydrogenation to methanol

(2017) Jijie Wang et al.   Science Advances

Optimizing Binding Energies of Key Intermediates for CO2 Hydrogenation to Methanol over Oxide-Supported Copper

(2016) Shyam Kattel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Barriers of Electrochemical CO2 Reduction on Transition Metals

(2016) Chuan Shi et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

Water-Enhanced Synthesis of Higher Alcohols from CO2 Hydrogenation over a Pt/Co3 O4 Catalyst under Milder Conditions

(2015) Zhenhong He et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu-Based Catalysts

(2015) Felix Studt et al.   ChemCatChem

Mechanistic Insights into CO2 Activation via Reverse Water–Gas Shift on Metal Surfaces

(2015) Luca Dietz et al.   Journal of Physical Chemistry C

Influence of Cl substitution on the electronic structure and catalytic activity of ceria

(2015) Li-Li Yin et al.   Science China-Chemistry

Theoretical insight into the selectivities of copper-catalyzing heterogeneous reduction of carbon dioxide

(2015) Xitong Sun et al.   Science China-Chemistry

Elucidating the mechanism and active site of the cyclohexanol dehydrogenation on copper-based catalysts: A density functional theory study

(2015) Ziyun Wang et al.   SURFACE SCIENCE

Activity and coke formation of nickel and nickel carbide in dry reforming: A deactivation scheme from density functional theory

(2014) Ziyun Wang et al.   JOURNAL OF CATALYSIS

Selectivity of CO2Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps

(2013) Xiaowa Nie et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

CO and CO2 Hydrogenation to Methanol Calculated Using the BEEF-vdW Functional

(2012) Felix Studt et al.   CATALYSIS LETTERS

Mechanistic studies of methanol synthesis over Cu from CO/CO2/H2/H2O mixtures: The source of C in methanol and the role of water

(2012) Y. Yang et al.   JOURNAL OF CATALYSIS

The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts

(2012) M. Behrens et al.   SCIENCE

An understanding of chemoselective hydrogenation on crotonaldehyde over Pt(111) in the free energy landscape: The microkinetics study based on first-principles calculations

(2011) Xiao-Ming Cao et al.   CATALYSIS TODAY

Insight into methanol synthesis from CO2 hydrogenation on Cu(111): Complex reaction network and the effects of H2O

(2011) Ya-Fan Zhao et al.   JOURNAL OF CATALYSIS

Mechanism of Methanol Synthesis on Cu through CO2and CO Hydrogenation

(2011) L. C. Grabow et al.   ACS Catalysis

Carbon Dioxide Hydrogenation on Cu Nanoparticles

(2010) Ching S. Chen et al.   Journal of Physical Chemistry C

Mechanism of CO2 hydrogenation over Cu/ZrO2(2̅12) interface from first-principles kinetics Monte Carlo simulations

(2010) Qi-Jun Hong et al.   SURFACE SCIENCE

Meso- and nano-structuring of industrial Cu/ZnO/(Al2O3) catalysts

(2009) Malte Behrens   JOURNAL OF CATALYSIS

Simultaneous MS-IR Studies of Surface Formate Reactivity Under Methanol Synthesis Conditions on Cu/SiO2

(2009) Y. Yang et al.   TOPICS IN CATALYSIS

On the Mechanism of Low-Temperature Water Gas Shift Reaction on Copper

(2008) Amit A. Gokhale et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Examining the redox and formate mechanisms for water–gas shift reaction on Au/CeO2 using density functional theory

(2008) Ying Chen et al.   SURFACE SCIENCE