DFT-D2 simulations of water adsorption and dissociation on the low-index surfaces of mackinawite (FeS)

Structure and dynamics of water at the mackinawite (001) surface

(2016) Umberto Terranova et al.   JOURNAL OF CHEMICAL PHYSICS

Early Oxidation Processes on the Greigite Fe3S4(001) Surface by Water: A Density Functional Theory Study

(2016) David Santos-Carballal et al.   Journal of Physical Chemistry C

A force field for mackinawite surface simulations in an aqueous environment

(2016) Umberto Terranova et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

(2015) A. Roldan et al.   CHEMICAL COMMUNICATIONS

Adsorption and Dissociation of H2O on Monolayered MoS2 Edges: Energetics and Mechanism from ab Initio Simulations

(2015) Kulbir Kaur Ghuman et al.   Journal of Physical Chemistry C

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

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

Density functional theory study on natural hydrophobicity of sulfide surfaces

(2014) Cui-hua ZHAO et al.   TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA

Size-Dependent Enhancement of Electrocatalytic Oxygen-Reduction and Hydrogen-Evolution Performance of MoS2Particles

(2013) Tanyuan Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

ZnS Nanostructures: Synthesis, Properties, and Applications

(2013) Xianfu Wang et al.   CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES

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

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets

(2013) Manish Chhowalla et al.   Nature Chemistry

Ni–Fe–S Cubanes in CO2 Reduction Electrocatalysis: A DFT Study

(2013) J. B. Varley et al.   ACS Catalysis

Bioinspired greigite magnetic nanocrystals: chemical synthesis and biomedicine applications

(2013) Mei Feng et al.   Scientific Reports

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

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

Interaction of Oxygen and Water with the (100) Surface of Pyrite: Mechanism of Sulfur Oxidation

(2012) Patrick H.-L. Sit et al.   Journal of Physical Chemistry Letters

Pyrite Nanocrystal Solar Cells: Promising, or Fool’s Gold?

(2012) Chet Steinhagen et al.   Journal of Physical Chemistry Letters

All inorganic iron pyrite nano-heterojunction solar cells

(2012) Alec Kirkeminde et al.   Nanoscale

A Molecular MoS2 Edge Site Mimic for Catalytic Hydrogen Generation

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

Preludes to dark energy: zero-point energy and vacuum speculations

(2011) Helge Kragh   ARCHIVE FOR HISTORY OF EXACT SCIENCES

Iron sulfide-embedded carbon microsphere anode material with high-rate performance for lithium-ion batteries

(2011) Bin Wu et al.   CHEMICAL COMMUNICATIONS

Charge Transport and Electrochemical Properties of Colloidal Greigite (Fe3S4) Nanoplatelets

(2011) Andrea Paolella et al.   CHEMISTRY OF MATERIALS

Deposition of iron sulfide nanocrystals from single source precursors

(2011) Masood Akhtar et al.   JOURNAL OF MATERIALS CHEMISTRY

Metal sulfide nanostructures: synthesis, properties and applications in energy conversion and storage

(2011) Chen-Ho Lai et al.   JOURNAL OF MATERIALS CHEMISTRY

Mechanistic Studies of Water–Gas-Shift Reaction on Transition Metals

(2011) Chia-Hao Lin et al.   Journal of Physical Chemistry C

Nickel and Iron Sulfide Nanoparticles from Thiobiurets

(2011) Ahmed Lutfi Abdelhady et al.   Journal of Physical Chemistry C

Air Stable, Photosensitive, Phase Pure Iron Pyrite Nanocrystal Thin Films for Photovoltaic Application

(2011) Yu Bi et al.   NANO LETTERS

Magnetic ordering in tetragonal FeS: Evidence for strong itinerant spin fluctuations

(2011) Kideok D. Kwon et al.   PHYSICAL REVIEW B

Increased photocurrent in bulk-heterojunction solar cells mediated by FeS2 nanocrystals

(2011) C.W. Lin et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Density Functional Theory Study of Water Dissociative Chemisorption on the Fe3O4(111) Surface

(2010) Chenggang Zhou et al.   Journal of Physical Chemistry C

Ab Initio Simulations of Li/Pyrite-MS[sub 2] (M=Fe, Ni) Battery Cells

(2010) Yoichi Yamaguchi et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

The mechanisms of pyrite oxidation and leaching: A fundamental perspective

(2010) A.P. Chandra et al.   SURFACE SCIENCE REPORTS

Biological Control on Calcite Crystallization by Polysaccharides

(2008) Mingjun Yang et al.   CRYSTAL GROWTH & DESIGN

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

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

(2008) Alaska Subedi et al.   PHYSICAL REVIEW B

Substrate-termination and H2O-coverage dependent dissociation of H2O on Fe3O4(111)

(2008) R.S. Cutting et al.   SURFACE SCIENCE