Fe-quaterpyridine complex: a comprehensive DFT study on the mechanism of CO2-to-CO conversion

Mechanistic study of methanol synthesis from CO2 hydrogenation on Rh-doped Cu(111) surfaces

(2019) Lingna Liu et al.   Molecular Catalysis

Influence of CO on the Activation, O-Vacancy Formation, and Performance of Au/ZnO Catalysts in CO2 Hydrogenation to Methanol

(2019) Ali M. Abdel-Mageed et al.   Journal of Physical Chemistry Letters

Synergistic Catalysis over Iron‐Nitrogen Sites Anchored with Cobalt Phthalocyanine for Efficient CO 2 Electroreduction

(2019) Long Lin et al.   ADVANCED MATERIALS

Improved methanol synthesis from CO2 hydrogenation over CuZnAlZr catalysts with precursor pre-activation by formaldehyde

(2019) Xiao-Xiao Hou et al.   JOURNAL OF CATALYSIS

Hydrothermal Synthesis of Ruthenium Nanoparticles with a Metallic Core and a Ruthenium Carbide Shell for Low-Temperature Activation of CO2 to Methane

(2019) Jorge Cored et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Methanation of CO2 over nickel catalysts: Impacts of acidic/basic sites on formation of the reaction intermediates

(2019) Chuanfei Liang et al.   FUEL

Electrogenerated Sm(II)-Catalyzed CO2 Activation for Carboxylation of Benzyl Halides

(2019) Sakna Bazzi et al.   ORGANIC LETTERS

CO2 activation on small Cu-Ni and Cu-Pd bimetallic clusters

(2019) Andres Alvarez-Garcia et al.   Molecular Catalysis

Iron Catalyzed CO2 Activation with Organosilanes

(2018) Tamara Jurado-Vázquez et al.   CATALYSIS LETTERS

Structures and electronic properties of halogenated Au(III) phthalocyanine AuPcX (X = Cl, Br): A Density Functional Theoretical Study

(2018) Guoliang Dai et al.   COMPUTATIONAL MATERIALS SCIENCE

Two-dimensional nitrides as highly efficient potential candidates for CO2 capture and activation

(2018) Raul Morales-Salvador et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Highly Selective Molecular Catalysts for the CO2-to-CO Electrochemical Conversion at Very Low Overpotential. Contrasting Fe vs Co Quaterpyridine Complexes upon Mechanistic Studies

(2018) Claudio Cometto et al.   ACS Catalysis

Electrochemically substituted metal phthalocyanines, e-MPc (M = Co, Ni), as highly active and selective catalysts for CO2 reduction

(2018) Yi Cheng et al.   Journal of Materials Chemistry A

CO2 and water activation on ceria nanocluster modified TiO2 rutile (110)

(2018) Stephen Rhatigan et al.   Journal of Materials Chemistry A

DFT insight into the support effect on the adsorption and activation of key species over Co catalysts for CO 2 methanation

(2018) Xiaowa Nie et al.   Journal of CO2 Utilization

Elucidating the Reactivity and Mechanism of CO2 Electroreduction at Highly Dispersed Cobalt Phthalocyanine

(2018) Minghui Zhu et al.   ACS Energy Letters

Ruthenium-hydrotalcite (Ru-HT) as an effective heterogeneous catalyst for the selective hydrogenation of CO 2 to formic acid

(2018) Minaxi S. Maru et al.   Molecular Catalysis

High charge transfer response of g-C3N4/Ag/AgCl/BiVO4 microstructure for the selective photocatalytic reduction of CO2 to CH4 under alkali activation

(2018) Rayees Ahmad Rather et al.   JOURNAL OF CATALYSIS

CO2 hydrogenation reaction over pristine Fe, Co, Ni, Cu and Al2O3 supported Ru: Comparison and determination of the activation energies

(2018) Robin Mutschler et al.   JOURNAL OF CATALYSIS

Catalytic oxidation mechanisms of carbon monoxide over single and double vacancy Cr-embedded graphene

(2018) Guoliang Dai et al.   JOURNAL OF MATERIALS SCIENCE

Tuning transition metal carbide activity by surface metal alloying: a case study on CO2 capture and activation

(2018) Martí López et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Double-slit photoelectron interference in strong-field ionization of the neon dimer

(2018) Maksim Kunitski et al.   Nature Communications

Influence of tetraalkylammonium cations on quality of decatungstate and its photocatalytic property in visible light-triggered selective oxidation of organic compounds by dioxygens

(2018) Bo Yang et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Activation of CO2 by supported Cu clusters

(2017) Satish Kumar Iyemperumal et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Activation of CO2 by Gadolinium Cation (Gd+): Energetics and Mechanism from Experiment and Theory

(2017) Maria Demireva et al.   TOPICS IN CATALYSIS

In situ click chemistry generation of cyclooxygenase-2 inhibitors

(2017) Atul Bhardwaj et al.   Nature Communications

Hydrogenation of CO 2 to methanol over Pd–Cu/CeO 2 catalysts

(2017) Eun Jeong Choi et al.   Molecular Catalysis

CO2 Activation and Hydrogenation by PtH n − Cluster Anions

(2016) Xinxing Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Solvent-Driven Reductive Activation of CO2by Bismuth: Switching from Metalloformate Complexes to Oxalate Products

(2016) Michael C. Thompson et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Transition metal carbides as novel materials for CO2 capture, storage, and activation

(2016) Christian Kunkel et al.   Energy & Environmental Science

Activation of CO2, CS2, and Dehydrogenation of Formic Acid Catalyzed by Iron(II) Hydride Complexes

(2016) Lin Wang et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

CO2 activation and fixation: highly efficient syntheses of hydroxy carbamates over Au/Fe2O3

(2016) Jianpeng Shang et al.   GREEN CHEMISTRY

Single-Electron Activation of CO2 on Graphene-Supported ZnO Nanoclusters: Effects of Doping in the Support

(2016) Haiying He et al.   Journal of Physical Chemistry C

Highly Efficient and Selective Photocatalytic CO2 Reduction by Iron and Cobalt Quaterpyridine Complexes

(2016) Zhenguo Guo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Simultaneous Reduction of CO2 and Splitting of H2O by a Single Immobilized Cobalt Phthalocyanine Electrocatalyst

(2016) Natalia Morlanés et al.   ACS Catalysis

Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study

(2015) N. Y. Dzade et al.   JOURNAL OF CHEMICAL PHYSICS

Catalysts and Reaction Pathways for the Electrochemical Reduction of Carbon Dioxide

(2015) Ruud Kortlever et al.   Journal of Physical Chemistry Letters

Hydrogenation of CO2 to Methanol: Importance of Metal–Oxide and Metal–Carbide Interfaces in the Activation of CO2

(2015) José A. Rodriguez et al.   ACS Catalysis

New insight into electrochemical behavior of copper complexes and their applications as bifunctional electrocatalysts for CO 2 activation

(2015) Hossein Khoshro et al.   Journal of CO2 Utilization

Fundamentals of Methanol Synthesis on Metal Carbide Based Catalysts: Activation of CO2 and H2

(2014) Sergio Posada-Pérez et al.   TOPICS IN CATALYSIS

Photocatalytic conversion of greenhouse gases (CO2 and CH4) using copper phthalocyanine modified TiO2

(2013) Neda Yazdanpour et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Generation, Capture, and Utilization of Industrial Carbon Dioxide

(2010) Andrew J. Hunt et al.   ChemSusChem