Support effects on adsorption and catalytic activation of O2 in single atom iron catalysts with graphene-based substrates

Support effects in single atom iron catalysts on adsorption characteristics of toxic gases (NO 2 , NH 3 , SO 3 and H 2 S)

(2018) Zhengyang Gao et al.   APPLIED SURFACE SCIENCE

Fe-doped graphene nanosheet as an adsorption platform of harmful gas molecules (CO, CO 2 , SO 2 and H 2 S), and the co-adsorption in O 2 environments

(2018) Diego Cortés-Arriagada et al.   APPLIED SURFACE SCIENCE

CO Oxidation on Metal Oxide Supported Single Pt atoms: The Role of the Support

(2017) Yang Lou et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Electrochemical oxygen reduction mechanism on FeN2-graphene

(2017) Jing Zhang et al.   JOURNAL OF MOLECULAR MODELING

The Role of Intrinsic Defects in Electrocatalytic Activity of Monolayer VS2 Basal Planes for the Hydrogen Evolution Reaction

(2017) Yang Zhang et al.   Journal of Physical Chemistry C

More accurate depiction of adsorption energy on transition metals using work function as one additional descriptor

(2017) Xiaochen Shen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Influence of NO and (NO)2 adsorption on the properties of Fe-N4 porphyrin-like graphene sheets

(2017) Elham Ashori et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Adsorption sensitivity of metal atom decorated bilayer graphene toward toxic gas molecules (CO, NO, SO 2 and HCN)

(2017) Yanan Tang et al.   SENSORS AND ACTUATORS B-CHEMICAL

Recent Advances in Atomic Metal Doping of Carbon-based Nanomaterials for Energy Conversion

(2017) Bita Bayatsarmadi et al.   Small

Boron-/Fe-codoped graphene as high-activity single-atom catalyst

(2017) Xiaonan Wang et al.   THEORETICAL CHEMISTRY ACCOUNTS

Substrate-mediated single-atom isolation: dispersion of Ni and La on γ-graphyne

(2017) Sunkyung Kim et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

(2017) Seoin Back et al.   Chemical Science

Highly active and stable single iron site confined in graphene nanosheets for oxygen reduction reaction

(2017) Xiaoqi Chen et al.   Nano Energy

Single-Atom Pt as Co-Catalyst for Enhanced Photocatalytic H2 Evolution

(2016) Xiaogang Li et al.   ADVANCED MATERIALS

Spatially Resolved Quantification of the Surface Reactivity of Solid Catalysts

(2016) Bing Huang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Single non-noble-metal cobalt atom stabilized by pyridinic vacancy graphene: An efficient catalyst for CO oxidation

(2016) Xilin Zhang et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

On the Nature of Support Effects of Metal Dioxides MO2 (M = Ti, Zr, Hf, Ce, Th) in Single-Atom Gold Catalysts: Importance of Quantum Primogenic Effect

(2016) Yan Tang et al.   Journal of Physical Chemistry C

Creating single-atom Pt-ceria catalysts by surface step decoration

(2016) Filip Dvořák et al.   Nature Communications

High catalytic activity for CO oxidation on single Fe atom stabilized in graphene vacancies

(2016) Yanan Tang et al.   RSC Advances

Adsorption behavior of Co anchored on graphene sheets toward NO, SO2, NH3, CO and HCN molecules

(2015) Yanan Tang et al.   APPLIED SURFACE SCIENCE

A first-principles study on gas sensing properties of graphene and Pd-doped graphene

(2015) Ling Ma et al.   APPLIED SURFACE SCIENCE

First-principles study of the alkali earth metal atoms adsorption on graphene

(2015) Minglei Sun et al.   APPLIED SURFACE SCIENCE

Transition metal adatoms on graphene: A systematic density functional study

(2015) Montserrat Manadé et al.   CARBON

The Power of Single-Atom Catalysis

(2015) Suxia Liang et al.   ChemCatChem

Cooperative Effects in Water Binding to Cuprous Oxide Surfaces

(2015) Christoph Riplinger et al.   Journal of Physical Chemistry C

A Common Single-Site Pt(II)–O(OH)x– Species Stabilized by Sodium on “Active” and “Inert” Supports Catalyzes the Water-Gas Shift Reaction

(2015) Ming Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single Pt atom stabilized on nitrogen doped graphene: CO oxidation readily occurs via the tri-molecular Eley–Rideal mechanism

(2015) Xilin Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Monodisperse Pt atoms anchored on N-doped graphene as efficient catalysts for CO oxidation: a first-principles investigation

(2015) Xin Liu et al.   Catalysis Science & Technology

TM atoms on B/N doped defective graphene as a catalyst for oxygen reduction reaction: a theoretical study

(2015) Xiaoming Zhang et al.   RSC Advances

A single iron site confined in a graphene matrix for the catalytic oxidation of benzene at room temperature

(2015) D. Deng et al.   Science Advances

Transition metal atom embedded graphene for capturing CO: A first-principles study

(2014) Lei Wang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

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

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

Gold Atoms Stabilized on Various Supports Catalyze the Water–Gas Shift Reaction

(2013) Maria Flytzani-Stephanopoulos   ACCOUNTS OF CHEMICAL RESEARCH

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

(2013) Xiao-Feng Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Modulating magnetic characteristics of Pt embedded graphene by gas adsorption (N2, O2, NO2, SO2)

(2013) Youngbin Lee et al.   APPLIED SURFACE SCIENCE

Theoretical assessment of graphene-metal contacts

(2013) Patanachai Janthon et al.   JOURNAL OF CHEMICAL PHYSICS

Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals

(2013) Patanachai Janthon et al.   Journal of Chemical Theory and Computation

Catalytically active single-atom niobium in graphitic layers

(2013) Xuefeng Zhang et al.   Nature Communications

Stability, Electronic and Magnetic Properties of In-Plane Defects in Graphene: A First-Principles Study

(2012) Shyam Kattel et al.   Journal of Physical Chemistry C

Adsorption and Catalytic Activation of O2 Molecule on the Surface of Au-Doped Graphene under an External Electric Field

(2012) Teng Zhang et al.   Journal of Physical Chemistry C

Substrate-mediated enhanced activity of Ru nanoparticles in catalytic hydrogenation of benzene

(2012) Xin Liu et al.   Nanoscale

Unique reactivity of Fe nanoparticles–defective graphene composites toward NHx (x = 0, 1, 2, 3) adsorption: a first-principles study

(2012) Xin Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Carrier-mediated long-range ferromagnetism in electron-doped Fe-C4and Fe-N4incorporated graphene

(2012) Alex Taekyung Lee et al.   PHYSICAL REVIEW B

Graphene substrate-mediated catalytic performance enhancement of Runanoparticles: a first-principles study

(2011) Xin Liu et al.   DALTON TRANSACTIONS

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

(2011) Botao Qiao et al.   Nature Chemistry

Graphene-based materials for catalysis

(2011) Bruno F. Machado et al.   Catalysis Science & Technology

CO Catalytic Oxidation on Iron-Embedded Graphene: Computational Quest for Low-Cost Nanocatalysts

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

Embedding Transition-Metal Atoms in Graphene: Structure, Bonding, and Magnetism

(2009) A. V. Krasheninnikov et al.   PHYSICAL REVIEW LETTERS

First-principles study of metal adatom adsorption on graphene

(2008) Kevin T. Chan et al.   PHYSICAL REVIEW B