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

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

(2015) A. Roldan et al.   CHEMICAL COMMUNICATIONS

The surface chemistry of NOx on mackinawite (FeS) surfaces: a DFT-D2 study

(2014) N. Y. Dzade et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Robust carbon dioxide reduction on molybdenum disulphide edges

(2014) Mohammad Asadi et al.   Nature Communications

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

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

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

Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO

(2013) Heine A. Hansen et al.   Journal of Physical Chemistry Letters

Validation of Interstitial Iron and Consequences of Nonstoichiometry in Mackinawite (Fe1+xS)

(2012) Jakoah Brgoch et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Molecular MoS2 Edge Site Mimic for Catalytic Hydrogen Generation

(2012) H. I. Karunadasa et al.   SCIENCE

Conversion of Methane and Carbon Dioxide to Higher Value Products

(2011) Vesna Havran et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

A renewable amine for photochemical reduction of CO2

(2011) Robert D. Richardson et al.   Nature Chemistry

Toward Solar Fuels: Photocatalytic Conversion of Carbon Dioxide to Hydrocarbons

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

Adsorption of CO2, CH4, N2O, and N2on MOF-5, MOF-177, and Zeolite 5A

(2010) Dipendu Saha et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

CO2 Activation and Total Reduction on Titanium(0001) Surface

(2010) S. F. Li et al.   Journal of Physical Chemistry C

Computational and Experimental Studies on the Adsorption of CO, N2, and CO2 on Mg-MOF-74

(2010) L. Valenzano et al.   Journal of Physical Chemistry C

Molecular Approaches to the Photocatalytic Reduction of Carbon Dioxide for Solar Fuels

(2009) Amanda J. Morris et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

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

Adsorption of CO2 on the Rutile (110) Surface in Ionic Liquid. A Molecular Dynamics Simulation

(2009) Tianying Yan et al.   Journal of Physical Chemistry C

Catalysis: Role and Challenges for a Sustainable Energy

(2009) Gabriele Centi et al.   TOPICS IN CATALYSIS

Amine functionalised metal organic frameworks (MOFs) as adsorbents for carbon dioxide

(2008) Bjørnar Arstad et al.   ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL-53(Cr) upon Thermal Activation and CO2Adsorption

(2008) Fabrice Salles et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Combined Density Functional Theory and Interatomic Potential Study of the Bulk and Surface Structures and Properties of the Iron Sulfide Mackinawite (FeS)

(2008) A. J. Devey et al.   Journal of Physical Chemistry C

Hydrothermal vents and the origin of life

(2008) William Martin et al.   NATURE REVIEWS MICROBIOLOGY

Theoretical Studies on Coupling Reactions of Carbon Dioxide with Alkynes Mediated by Nickel(0) Complexes

(2008) Juan Li et al.   ORGANOMETALLICS

Density functional study of FeS, FeSe, and FeTe: Electronic structure, magnetism, phonons, and superconductivity

(2008) Alaska Subedi et al.   PHYSICAL REVIEW B

Challenges in Modeling Materials Properties Without Experimental Input

(2008) E. A. Carter   SCIENCE