Theoretical insights into catalytic CO2 hydrogenation over single-atom (Fe or Ni) incorporated nitrogen-doped graphene

Theoretical insights into hydrogenation of CO2 to formic acid over a single Co atom incorporated nitrogen-doped graphene: A DFT study

(2019) Mehdi D. Esrafili et al.   APPLIED SURFACE SCIENCE

Hydrogenation of CO2 to formic acid on the single atom catalysis Cu/C2N: A first principles study

(2019) Junmei Ma et al.   APPLIED SURFACE SCIENCE

Single-atoms supported (Fe, Co, Ni, Cu) on graphitic carbon nitride for CO2 adsorption and hydrogenation to formic acid: First-principles insights

(2019) Kan Homlamai et al.   APPLIED SURFACE SCIENCE

DFT Study of Catalytic CO2 Hydrogenation over Pt-Decorated Carbon Nanocones: H2 Dissociation Combined with the Spillover Mechanism

(2019) Nuttapon Yodsin et al.   Journal of Physical Chemistry C

Formic Acid Synthesis by CO2 Hydrogenation over Single-Atom Catalysts Based on Ru and Cu Embedded in Graphene

(2018) Dušan N. Sredojević et al.   ChemistrySelect

Atomically dispersed Ni(i) as the active site for electrochemical CO2 reduction

(2018) Hong Bin Yang et al.   Nature Energy

Understanding the Role of Pd: Cu Ratio, Surface and Electronic Structures in Pd-Cu Alloy Material Applied in Direct Formic Acid Fuel Cells

(2018) Riguang Zhang et al.   APPLIED SURFACE SCIENCE

Exploring different reaction mechanisms for oxidation of CO over a single Pd atom incorporated nitrogen-doped graphene: A DFT study

(2018) Mehdi D. Esrafili et al.   APPLIED SURFACE SCIENCE

A comprehensive DFT study of CO2 catalytic conversion by H2 over Pt-doped Ni catalysts

(2018) Zhiliang Ou et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A DFT study on the possibility of using a single Cu atom incorporated nitrogen-doped graphene as a promising and highly active catalyst for oxidation of CO

(2018) Mehdi D. Esrafili et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Single Nickel Atoms Anchored on Nitrogen-Doped Graphene as a Highly Active Cocatalyst for Photocatalytic H2 Evolution

(2018) Qi Zhao et al.   ACS Catalysis

Catalytic hydrogenation of CO 2 over Pt- and Ni-doped graphene: A comparative DFT study

(2017) Mehdi D. Esrafili et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

A direct four-electron process on Fe–N3 doped graphene for the oxygen reduction reaction: a theoretical perspective

(2017) Xiaowan Bai et al.   RSC Advances

Single Ni atom incorporated with pyridinic nitrogen graphene as an efficient catalyst for CO oxidation: first-principles investigation

(2017) Mingguang Wang et al.   RSC Advances

Hydrogenation of CO 2 to formic acid over a Cu-embedded graphene: A DFT study

(2016) J. Sirijaraensre et al.   APPLIED SURFACE SCIENCE

Prediction of carbon dioxide solubility in aqueous mixture of methyldiethanolamine and N -methylpyrrolidone using intelligent models

(2016) Afshin Tatar et al.   International Journal of Greenhouse Gas Control

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

Single Atom (Pd/Pt) Supported on Graphitic Carbon Nitride as an Efficient Photocatalyst for Visible-Light Reduction of Carbon Dioxide

(2016) Guoping Gao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pyrrolic-nitrogen doped graphene: a metal-free electrocatalyst with high efficiency and selectivity for the reduction of carbon dioxide to formic acid: a computational study

(2016) Yuejie Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nickel-Nitrogen-Modified Graphene: An Efficient Electrocatalyst for the Reduction of Carbon Dioxide to Carbon Monoxide

(2016) Panpan Su et al.   Small

Chemistry of Multitudinous Active Sites for Oxygen Reduction Reaction in Transition Metal–Nitrogen–Carbon Electrocatalysts

(2015) Kateryna Artyushkova et al.   Journal of Physical Chemistry C

Effect of the Transition Metal on Metal-Nitrogen-Carbon Catalysts for the Hydrogen Evolution Reaction

(2015) A. Morozan et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Computational and experimental evidence for a new TM–N3/C moiety family in non-PGM electrocatalysts

(2015) Sadia Kabir 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

Observation of Active Sites for Oxygen Reduction Reaction on Nitrogen-Doped Multilayer Graphene

(2014) Tan Xing et al.   ACS Nano

Upper Limit of Nitrogen Content in Carbon Materials

(2014) Shiguo Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The key role of metal dopants in nitrogen-doped carbon xerogel for oxygen reduction reaction

(2014) Sisi Liu et al.   JOURNAL OF POWER SOURCES

PdM nanoparticles (M = Ni, Co, Fe, Mn) with high activity and stability in formic acid oxidation synthesized by sonochemical reactions

(2014) Md. Abdul Matin et al.   JOURNAL OF POWER SOURCES

A density functional theory study of oxygen reduction reaction on non-PGM Fe–Nx–C electrocatalysts

(2014) Shyam Kattel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct synthesis of formic acid from carbon dioxide by hydrogenation in acidic media

(2014) Séverine Moret et al.   Nature Communications

Catalysis for CO2 conversion: a key technology for rapid introduction of renewable energy in the value chain of chemical industries

(2013) Gabriele Centi et al.   Energy & Environmental Science

Production of Formic Acid via Hydrogenation of CO2 over a Copper-Alkoxide-Functionalized MOF: A Mechanistic Study

(2013) Thana Maihom et al.   Journal of Physical Chemistry C

A “nano-windmill” driven by a flux of water vapour: a comparison to the rotating ATPase

(2013) Patrycja Nitoń et al.   Nanoscale

A simple method to synthesize continuous large area nitrogen-doped graphene

(2012) Hui Gao et al.   CARBON

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, Dissociation, and Hydrogenation of CO2 on WC(0001) and WC-Co Alloy Surfaces Investigated with Theoretical Calculations

(2012) Shiuan-Yau Wu et al.   Journal of Physical Chemistry C

Windowed Carbon Nanotubes for Efficient CO2 Removal from Natural Gas

(2012) Hongjun Liu et al.   Journal of Physical Chemistry Letters

A Facile Synthesis of MPd (M = Co, Cu) Nanoparticles and Their Catalysis for Formic Acid Oxidation

(2012) Vismadeb Mazumder et al.   NANO LETTERS

Copper-Catalyzed Formic Acid Synthesis from CO2 with Hydrosilanes and H2O

(2012) Ken Motokura et al.   ORGANIC LETTERS

Catalytic activity of Co–Nx/C electrocatalysts for oxygen reduction reaction: a density functional theory study

(2012) Shyam Kattel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Highly selective CO2 capture on N-doped carbon produced by chemical activation of polypyrrole functionalized graphene sheets

(2011) Vimlesh Chandra et al.   CHEMICAL COMMUNICATIONS

Graphene-Based Non-Noble-Metal Catalysts for Oxygen Reduction Reaction in Acid

(2011) Hye Ryung Byon et al.   CHEMISTRY OF MATERIALS

CO2Capture from the Atmosphere and Simultaneous Concentration Using Zeolites and Amine-Grafted SBA-15

(2011) Nicholas R. Stuckert et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

CO2 Hydrogenation to Formic Acid on Ni(111)

(2011) Guowen Peng et al.   Journal of Physical Chemistry C

Hydrogen production from formic acid decomposition at room temperature using a Ag–Pd core–shell nanocatalyst

(2011) Karaked Tedsree et al.   Nature Nanotechnology

Visualizing Individual Nitrogen Dopants in Monolayer Graphene

(2011) L. Zhao et al.   SCIENCE

Carbon dioxide gas sensor using a graphene sheet

(2011) Hyeun Joong Yoon et al.   SENSORS AND ACTUATORS B-CHEMICAL

Mechanism of Methanol Synthesis on Cu through CO2and CO Hydrogenation

(2011) L. C. Grabow et al.   ACS Catalysis

Chemical doping of graphene

(2010) Hongtao Liu et al.   JOURNAL OF MATERIALS CHEMISTRY

In Search of the Active Site in Nitrogen-Doped Carbon Nanotube Electrodes for the Oxygen Reduction Reaction

(2010) Chitturi Venkateswara Rao et al.   Journal of Physical Chemistry Letters

Catalytic Generation of Hydrogen from Formic acid and its Derivatives: Useful Hydrogen Storage Materials

(2010) Björn Loges et al.   TOPICS IN CATALYSIS

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

(2009) Gabriele Centi et al.   CATALYSIS TODAY

Breakthroughs in Hydrogen Storage-Formic Acid as a Sustainable Storage Material for Hydrogen

(2008) Ferenc Joó   ChemSusChem

Carbon Dioxide Hydrogenation on Ni(110)

(2008) Erik Vesselli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Superior Thermal Conductivity of Single-Layer Graphene

(2008) Alexander A. Balandin et al.   NANO LETTERS

Efficiency of an Integrated Gasification Combined Cycle (IGCC) power plant including CO2 removal

(2007) C DESCAMPS et al.   ENERGY

Development of new CaO based sorbent materials for CO2 removal at high temperature

(2007) Christina S. Martavaltzi et al.   MICROPOROUS AND MESOPOROUS MATERIALS