Computational investigation of M1/W6S8 (M = Fe, Ru, and Os) single-atom catalysts for CO2 hydrogenation

A density functional theory study of aldehydes and their atmospheric products participating in nucleation

(2018) Xiangli Shi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Role of Carbonaceous Aerosols in Catalyzing Sulfate Formation

(2018) Guangzhi He et al.   ACS Catalysis

Mechanistic Insight into C–C Coupling over Fe–Cu Bimetallic Catalysts in CO2 Hydrogenation

(2017) Xiaowa Nie et al.   Journal of Physical Chemistry C

Phosphomolybdic acid supported atomically dispersed transition metal atoms (M = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au): stable single atom catalysts studied by density functional theory

(2017) Shujiao Wang et al.   RSC Advances

Atomically Dispersed Ru on Ultrathin Pd Nanoribbons

(2016) Jingjie Ge et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DFT studies on the heterogeneous oxidation of SO2 by oxygen functional groups on graphene

(2016) Guangzhi He et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Single-atom dispersed Co–N–C catalyst: structure identification and performance for hydrogenative coupling of nitroarenes

(2016) Wengang Liu et al.   Chemical Science

Atomically isolated nickel species anchored on graphitized carbon for efficient hydrogen evolution electrocatalysis

(2016) Lili Fan et al.   Nature Communications

Catalysis by Supported Single Metal Atoms

(2016) Jingyue Liu   ACS Catalysis

Catalytic mechanism of C–F bond cleavage: insights from QM/MM analysis of fluoroacetate dehalogenase

(2016) Yanwei Li et al.   Catalysis Science & Technology

Theoretical study on the reaction mechanism of reverse water–gas shift reaction using a Rh–Mo6S8 cluster

(2016) Zhaoru Cao et al.   RSC Advances

Single-Atom Pd1/Graphene Catalyst Achieved by Atomic Layer Deposition: Remarkable Performance in Selective Hydrogenation of 1,3-Butadiene

(2015) Huan Yan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ultrastable single-atom gold catalysts with strong covalent metal-support interaction (CMSI)

(2015) Botao Qiao et al.   Nano Research

Mechanistic Study of Methanol Synthesis from CO2 and H2 on a Modified Model Mo6S8 Cluster

(2015) Cheng Liu et al.   ACS Catalysis

A single iron site confined in a graphene matrix for the catalytic oxidation of benzene at room temperature

(2015) D. Deng et al.   Science Advances

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

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

Green Carbon Science: Scientific Basis for Integrating Carbon Resource Processing, Utilization, and Recycling

(2013) Mingyuan He et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2 Fixation

(2013) Aaron M. Appel et al.   CHEMICAL REVIEWS

Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes

(2013) Evgenii V. Kondratenko et al.   Energy & Environmental Science

Methanol synthesis from CO2 hydrogenation over La–M–Cu–Zn–O (M = Y, Ce, Mg, Zr) catalysts derived from perovskite-type precursors

(2013) Haijuan Zhan et al.   JOURNAL OF POWER SOURCES

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

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

A copper-phyllosilicate core-sheath nanoreactor for carbon–oxygen hydrogenolysis reactions

(2013) Hairong Yue et al.   Nature Communications

Theoretical Investigation of Water Gas Shift Reaction Catalyzed by Iron Group Carbonyl Complexes M(CO)5 (M = Fe, Ru, Os)

(2012) Yu Chen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Investigations on Decomposition of HCOOH Catalyzed by Pd7 Cluster

(2012) Song Ju Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Comparative Theoretical Study of Adsorption and Dehydrogenation of Formic Acid, Hydrazine and Isopropanol on Pd(111) Surface

(2011) Shaodong Zhou et al.   CATALYSIS LETTERS

Recent advances in catalytic hydrogenation of carbon dioxide

(2011) Wei Wang et al.   CHEMICAL SOCIETY REVIEWS

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

(2011) Botao Qiao et al.   Nature Chemistry

How to Conceptualize Catalytic Cycles? The Energetic Span Model

(2010) Sebastian Kozuch et al.   ACCOUNTS OF CHEMICAL RESEARCH

Heterogeneous catalytic CO2 conversion to value-added hydrocarbons

(2010) Robert W. Dorner et al.   Energy & Environmental Science

Opportunities and prospects in the chemical recycling of carbon dioxide to fuels

(2009) Gabriele Centi et al.   CATALYSIS TODAY

Methanol Synthesis from H2and CO2on a Mo6S8Cluster: A Density Functional Study†

(2009) Ping Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

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

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