Methanol formation from CO2 catalyzed by Fe3S4{111}: formate versus hydrocarboxyl pathways

Bio-inspired CO2 conversion by iron sulfide catalysts under sustainable conditions

(2015) A. Roldan et al.   CHEMICAL COMMUNICATIONS

First-principles study of the inversion thermodynamics and electronic structure ofFeM2X4(thio)spinels (M=Cr, Mn, Co, Ni;X=O, S)

(2015) David Santos-Carballal et al.   PHYSICAL REVIEW B

Accelerating extinction risk from climate change

(2015) M. C. Urban   SCIENCE

Active Nature of Primary Amines during Thermal Decomposition of Nickel Dithiocarbamates to Nickel Sulfide Nanoparticles

(2014) Nathan Hollingsworth et al.   CHEMISTRY OF MATERIALS

A Density Functional Theory Study of the Adsorption of Benzene on Hematite (α-Fe2O3) Surfaces

(2014) Nelson Dzade et al.   Minerals

A comparative DFT study of the mechanical and electronic properties of greigite Fe3S4 and magnetite Fe3O4

(2013) A. Roldan et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption of methylamine on mackinawite (FES) surfaces: A density functional theory study

(2013) N. Y. Dzade et al.   JOURNAL OF CHEMICAL PHYSICS

The Role of Hydrogen Bonding and Proton Transfer in the Formation of Uracil Networks on the Gold (100) Surface: A Density Functional Theory Approach

(2013) Simona Irrera et al.   Journal of Physical Chemistry C

Catalytic Dissociation of Water on the (001), (011), and (111) Surfaces of Violarite, FeNi2S4: A DFT-D2 Study

(2013) Saima Haider et al.   Journal of Physical Chemistry C

Importance of dispersion in density functional calculations of cesium chloride and its related halides

(2013) F. Zhang et al.   PHYSICAL REVIEW B

Adsorption of hydrazine on the perfect and defective copper (111) surface: A dispersion-corrected DFT study

(2013) Saeedeh S. Tafreshi et al.   SURFACE SCIENCE

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

Recent progress in the electrochemical conversion and utilization of CO2

(2011) Neil S. Spinner et al.   Catalysis Science & Technology

Toward Solar Fuels: Photocatalytic Conversion of Carbon Dioxide to Hydrocarbons

(2010) Somnath C. Roy et al.   ACS Nano

Catalysts for CO2/epoxide copolymerisation

(2010) Michael R. Kember et al.   CHEMICAL COMMUNICATIONS

Carbon Dioxide as Chemical Feedstock. Edited by Michele Aresta.

(2010) Laurent Plasseraud   ChemSusChem

A tungsten-mediated closed cycle of reactivity for the reduction of CO2 to CO

(2010) Upul Jayarathne et al.   DALTON TRANSACTIONS

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

(2010) Andrew A. Peterson et al.   Energy & Environmental Science

Theoretical Simulation of Temperature Programmed Desorption of Molecular Oxygen on Isolated Au Nanoparticles from Density Functional Calculations and Microkinetics Models

(2010) Alberto Roldán et al.   Journal of Physical Chemistry C

(Non)formation of Methanol by Direct Hydrogenation of Formate on Copper Catalysts

(2010) Yong Yang et al.   Journal of Physical Chemistry C

Copenhagen Accord pledges are paltry

(2010) Joeri Rogelj et al.   NATURE

Understanding Trends in Catalytic Activity: The Effect of Adsorbate–Adsorbate Interactions for CO Oxidation Over Transition Metals

(2010) Lars C. Grabow et al.   TOPICS IN CATALYSIS

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

(2009) Gabriele Centi et al.   CATALYSIS TODAY

Hydrogen-Assisted Transformation of CO2 on Nickel: The Role of Formate and Carbon Monoxide

(2009) Erik Vesselli et al.   Journal of Physical Chemistry Letters

Structure Sensitivity of Methanol Electrooxidation on Transition Metals

(2009) Peter Ferrin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Greenhouse-gas emission targets for limiting global warming to 2 °C

(2009) Malte Meinshausen et al.   NATURE

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Density functional theory for transition metals and transition metal chemistry

(2009) Christopher J. Cramer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic and magnetic structure ofFe3S4:GGA+Uinvestigation

(2009) A. J. Devey et al.   PHYSICAL REVIEW B

Fundamental magnetic parameters from pure synthetic greigite (Fe3S4)

(2008) Liao Chang et al.   JOURNAL OF GEOPHYSICAL RESEARCH

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

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