Single atom transition metals on MoS2 monolayer and their use as catalysts for CO2 activation

Ni single atom catalysts for CO2 activation

(2019) Marie-Mathilde Millet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Advances in Sustainable Catalysis: A Computational Perspective

(2019) Matthew G. Quesne et al.   Frontiers in Chemistry

Versatile Applications of Metal Single‐Atom @ 2D Material Nanoplatforms

(2019) Bin Zhang et al.   Advanced Science

Theoretical Insights into CO2 Adsorption by MoS2 Nanomaterials

(2019) Nuria Aguilar et al.   Journal of Physical Chemistry C

Graphene Supported Single Atom Transition Metal Catalysts for Methane Activation

(2018) Sanjubala Sahoo et al.   ChemCatChem

Modulating the magnetic properties of MoS2 monolayers by group VIII doping and vacancy engineering

(2018) Cuifang Jia et al.   RSC Advances

First-Principles Study on the Structural and Electronic Properties of Monolayer MoS2 with S-Vacancy under Uniaxial Tensile Strain

(2018) Weidong Wang et al.   Nanomaterials

First-Principles Determination of CO Adsorption and Desorption on Pt(111) in the Free Energy Landscape

(2018) Chenxi Guo et al.   Journal of Physical Chemistry C

Single-Atom Catalysis toward Efficient CO2 Conversion to CO and Formate Products

(2018) Xiong Su et al.   ACCOUNTS OF CHEMICAL RESEARCH

Catalysis with Two-Dimensional Materials Confining Single Atoms: Concept, Design, and Applications

(2018) Yong Wang et al.   CHEMICAL REVIEWS

Quantitative Modeling of MoS2–Solvent Interfaces: Predicting Contact Angles and Exfoliation Performance using Molecular Dynamics

(2017) Vishnu Sresht et al.   Journal of Physical Chemistry C

MoS2 monolayer catalyst doped with isolated Co atoms for the hydrodeoxygenation reaction

(2017) Guoliang Liu et al.   Nature Chemistry

The adsorption and diffusion behavior of noble metal adatoms (Pd, Pt, Cu, Ag and Au) on a MoS2 monolayer: a first-principles study

(2017) Ping Wu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Single-atom catalysts for CO2 electroreduction with significant activity and selectivity improvements

(2017) Seoin Back et al.   Chemical Science

TiC- and TiN-Supported Single-Atom Catalysts for Dramatic Improvements in CO2 Electrochemical Reduction to CH4

(2017) Seoin Back et al.   ACS Energy Letters

Iron-embedded C2N monolayer: a promising low-cost and high-activity single-atom catalyst for CO oxidation

(2016) B. L. He et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CO oxidation catalyzed by the single Co atom embedded hexagonal boron nitride nanosheet: a DFT-D study

(2016) Zhansheng Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A Ti-anchored Ti2CO2 monolayer (MXene) as a single-atom catalyst for CO oxidation

(2016) Xu Zhang et al.   Journal of Materials Chemistry A

A Stable Single-Site Palladium Catalyst for Hydrogenations

(2015) Gianvito Vilé et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nanoporous Graphene with Single-Atom Nickel Dopants: An Efficient and Stable Catalyst for Electrochemical Hydrogen Production

(2015) H.-J. Qiu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Adsorption and Diffusion of Lithium on Monolayer Transition Metal Dichalcogenides (MoS2(1–x)Se2x) Alloys

(2015) Fatih Ersan et al.   Journal of Physical Chemistry C

Adsorption and diffusion of lithium on 1T-MoS 2 monolayer

(2014) B. Xu et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principles study of transition-metal atoms adsorption on MoS2 monolayer

(2014) Yanzong Wang et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

CO oxidation catalyzed by Pt-embedded graphene: a first-principles investigation

(2014) Xin Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-Principles Investigations of Metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) Doped Hexagonal Boron Nitride Nanosheets: Stability and Catalysis of CO Oxidation

(2013) Sen Lin et al.   Journal of Physical Chemistry C

CO Oxidation on Supported Single Pt Atoms: Experimental and ab Initio Density Functional Studies of CO Interaction with Pt Atom on θ-Al2O3(010) Surface

(2013) Melanie Moses-DeBusk et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A theoretical simulation on the catalytic oxidation of CO on Pt/graphene

(2012) Yanan Tang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

CO Catalytic Oxidation on Copper-Embedded Graphene

(2011) E. H. Song et al.   Journal of Physical Chemistry C

Fe-Anchored Graphene Oxide: A Low-Cost and Easily Accessible Catalyst for Low-Temperature CO Oxidation

(2011) Fengyu Li et al.   Journal of Physical Chemistry C

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

(2011) Botao Qiao et al.   Nature Chemistry

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY