Related references
Note: Only part of the references are listed.N-piperidinyl substituted trioxotriangulene as an efficient catalyst for oxygen reduction reaction in fuel cell application-a DFT study
Thangaraj Thiruppathiraja et al.
IONICS (2023)
Pyrrolic, pyridinic, and graphitic sumanene as metal-free catalyst for oxygen reduction reaction - A density functional theory study
Thangaraj Thiruppathiraja et al.
FUEL CELLS (2021)
Proton Exchange Membrane Fuel Cells (PEMFCs): Advances and Challenges
Miriam M. Tellez-Cruz et al.
POLYMERS (2021)
H, OH and COOH functionalized magnesium phthalocyanine as a catalyst for oxygen reduction reaction (ORR) - A DFT study
Thangaraj Thiruppathiraja et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2020)
Evaluating the catalytic activity of transition metal dimers for the oxygen reduction reaction
Zhao Liang et al.
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2020)
Exploring the oxygen electrode bi-functional activity of Ni-N-C-doped graphene systems with N, C co-ordination and OH ligand effects
Zhao Liang et al.
JOURNAL OF MATERIALS CHEMISTRY A (2020)
Synthesis and Applications of Graphdiyne-Based Metal-Free Catalysts
Zicheng Zuo et al.
ADVANCED MATERIALS (2019)
Rhodium and Nitrogen Codoped Graphene as a Bifunctional Electrocatalyst for the Oxygen Reduction Reaction and CO2 Reduction Reaction: Mechanism Insights
Yanan Meng et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Facile synthesis of magnesium ferrite nanoparticles supported on nitrogen and sulfur co-doped carbon black as an efficient electrocatalyst for oxygen reduction reaction
Maryam Kiani et al.
JOURNAL OF NANOPARTICLE RESEARCH (2019)
A density functional theory study of the oxygen reduction reaction on the (111) and (100) surfaces of cobalt(II) oxide
Bangchang Qin et al.
PROGRESS IN REACTION KINETICS AND MECHANISM (2019)
A review of oxygen reduction mechanisms for metal-free carbon-based electrocatalysts
Ruguang Ma et al.
NPJ COMPUTATIONAL MATERIALS (2019)
High Areal Capacitance of N-Doped Graphene Synthesized by Arc Discharge
Thang Viet Pham et al.
ADVANCED FUNCTIONAL MATERIALS (2019)
An Isolated Zinc-Cobalt Atomic Pair for Highly Active and Durable Oxygen Reduction
Ziyang Lu et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)
A proposal based on quantum phenomena for the ORR mechanism on nitrogen-doped carbon-based electrocatalysts
A. Legarreta-Mendoza et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)
Identification of single-atom active sites in carbon-based cobalt catalysts during electrocatalytic hydrogen evolution
Linlin Cao et al.
NATURE CATALYSIS (2019)
Why nitrogen favors oxygen reduction on graphitic materials
Adolfo Ferre-Vilaplana et al.
SUSTAINABLE ENERGY & FUELS (2019)
Software update: the ORCA program system, version 4.0
Frank Neese
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)
DFT study of stabilization effects on N-doped graphene for ORR catalysis
Mateusz Reda et al.
CATALYSIS TODAY (2018)
Investigation of electrocatalytic activity on a N-doped reduced graphene oxide surface for the oxygen reduction reaction in an alkaline medium
Debabrata Chanda et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2018)
A density functional study on the oxygen reduction reaction mechanism on FeN2-doped graphene
Yuewen Yang et al.
NEW JOURNAL OF CHEMISTRY (2018)
Graphitic Nitrogen Is Responsible for Oxygen Electroreduction on Nitrogen-Doped Carbons in Alkaline Electrolytes: Insights from Activity Attenuation Studies and Theoretical Calculations
Nan Wang et al.
ACS CATALYSIS (2018)
Size effect of oxygen reduction reaction on nitrogen-doped graphene quantum dots
Peng Zhang et al.
RSC ADVANCES (2018)
High-performance Platinum-free oxygen reduction reaction and hydrogen oxidation reaction catalyst in polymer electrolyte membrane fuel cell
Priji Chandran et al.
SCIENTIFIC REPORTS (2018)
Recent Advances on Non-precious Metal Porous Carbon-based Electrocatalysts for Oxygen Reduction Reaction
Dongdong Liu et al.
CHEMELECTROCHEM (2018)
Sub-50 nm Iron-Nitrogen-Doped Hollow Carbon Sphere-Encapsulated Iron Carbide Nanoparticles as Efficient Oxygen Reduction Catalysts
Haibo Tan et al.
ADVANCED SCIENCE (2018)
Mechanisms of the oxygen reduction reaction on B- and/or N-doped carbon nanomaterials with curvature and edge effects
Xiaolong Zou et al.
NANOSCALE (2018)
Silicon-Doped Nitrogen-Coordinated Graphene as Electrocatalyst for Oxygen Reduction Reaction
Chandra Chowdhury et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Graphdiyne-Supported Single-Atom-Sized Fe Catalysts for the Oxygen Reduction Reaction: DFT Predictions and Experimental Validations
Yuan Gao et al.
ACS CATALYSIS (2018)
Exploring metal decorated Porphyrin-like Porous Fullerene as catalyst for oxygen reduction reaction: A DFT study
Brindaban Modak et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2017)
The oxygen reduction reaction mechanism on Sn doped graphene as an electrocatalyst in fuel cells: a DFT study
Xiaoxu Sun et al.
RSC ADVANCES (2017)
Earth-Abundant Nanomaterials for Oxygen Reduction
Wei Xia et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Carbon-Based Metal-Free Catalysts for Electrocatalysis beyond the ORR
Chuangang Hu et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Theoretical insights on the reaction pathways for oxygen reduction reaction on phosphorus doped graphene
Xiaowan Bai et al.
CARBON (2016)
Recent Advances in Electrocatalysts for Oxygen Reduction Reaction
Minhua Shao et al.
CHEMICAL REVIEWS (2016)
The application of graphene and its composites in oxygen reduction electrocatalysis: a perspective and review of recent progress
Drew Higgins et al.
ENERGY & ENVIRONMENTAL SCIENCE (2016)
Potential Application of Novel Boron-Doped Graphene Nanoribbon as Oxygen Reduction Reaction Catalyst
Lu Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
A comparative DFT study of oxygen reduction reaction on mononuclear and binuclear cobalt and iron phthalocyanines
Xin Chen et al.
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Carbon-based metal-free catalysts
Xien Liu et al.
NATURE REVIEWS MATERIALS (2016)
Systematic study of transition-metal (Fe, Co, Ni, Cu) phthalocyanines as electrocatalysts for oxygen reduction and their evaluation by DFT
Zhengping Zhang et al.
RSC ADVANCES (2016)
Bader's Theory of Atoms in Molecules (AIM) and its Applications to Chemical Bonding
P. Shyam Vinod Kumar et al.
JOURNAL OF CHEMICAL SCIENCES (2016)
Atomic Mechanism of Electrocatalytically Active Co-N Complexes in Graphene Basal Plane for Oxygen Reduction Reaction
Feng Li et al.
ACS APPLIED MATERIALS & INTERFACES (2015)
Metal-Free Catalysts for Oxygen Reduction Reaction
Liming Dai et al.
CHEMICAL REVIEWS (2015)
Recent advancements in Pt and Pt-free catalysts for oxygen reduction reaction
Yao Nie et al.
CHEMICAL SOCIETY REVIEWS (2015)
Carbon-Doped Boron Nitride Nanosheet: An Efficient Metal-Free Electrocatalyst for the Oxygen Reduction Reaction
Jingxiang Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Iron-embedded boron nitride nanosheet as a promising electrocatalyst for the oxygen reduction reaction (ORR): A density functional theory (DFT) study
Li-yan Feng et al.
JOURNAL OF POWER SOURCES (2015)
The oxygen reduction reaction on Pt(111) and Pt(100) surfaces substituted by subsurface Cu: a theoretical perspective
Kai Li et al.
JOURNAL OF MATERIALS CHEMISTRY A (2015)
Nitrogen-Doped Carbon Nanotube and Graphene Materials for Oxygen Reduction Reactions
Qiliang Wei et al.
CATALYSTS (2015)
Carbon-based electrocatalysts for advanced energy conversion and storage
Jintao Zhang et al.
SCIENCE ADVANCES (2015)
Highly active nitrogen-doped few-layer graphene/carbon nanotube composite electrocatalyst for oxygen reduction reaction in alkaline media
Sander Ratso et al.
CARBON (2014)
One-pot synthesis of nitrogen and sulfur co-doped graphene as efficient metal-free electrocatalysts for the oxygen reduction reaction
Xin Wang et al.
CHEMICAL COMMUNICATIONS (2014)
Boron-doped graphene as active electrocatalyst for oxygen reduction reaction at a fuel-cell cathode
Gianluca Fazio et al.
JOURNAL OF CATALYSIS (2014)
N-doped graphene as catalysts for oxygen reduction and oxygen evolution reactions: Theoretical considerations
Mingtao Li et al.
JOURNAL OF CATALYSIS (2014)
Aromaticity, response, and nonlinear optical properties of sumanene modified with boron and nitrogen atoms
Stevan Armakovic et al.
JOURNAL OF MOLECULAR MODELING (2014)
The inherent kinetic electrochemical reduction of oxygen into H2O on FeN4-carbon: A density functional theory study
Jing Zhang et al.
JOURNAL OF POWER SOURCES (2014)
Nitrogen-doped graphdiyne as a metal-free catalyst for high-performance oxygen reduction reactions
Rongji Liu et al.
NANOSCALE (2014)
Degradation of methyl salicylate through Cl initiated atmospheric oxidation - a theoretical study
A. Mano Priya et al.
RSC ADVANCES (2014)
Layered SiC Sheets: A Potential Catalyst for Oxygen Reduction Reaction
P. Zhang et al.
SCIENTIFIC REPORTS (2014)
Density functional theory study of the oxygen reduction reaction mechanism in a BN co-doped graphene electrocatalyst
Shyam Kattel et al.
JOURNAL OF MATERIALS CHEMISTRY A (2014)
Theoretical insight into highly durable iron phthalocyanine derived non-precious catalysts for oxygen reduction reactions
Min Ho Seo et al.
JOURNAL OF MATERIALS CHEMISTRY A (2014)
Synthesis of Phosphorus-Doped Graphene and its Multifunctional Applications for Oxygen Reduction Reaction and Lithium Ion Batteries
Chenzhen Zhang et al.
ADVANCED MATERIALS (2013)
Two-Step Boron and Nitrogen Doping in Graphene for Enhanced Synergistic Catalysis
Yao Zheng et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Low-temperature synthesis of nitrogen/sulfur co-doped three-dimensional graphene frameworks as efficient metal-free electrocatalyst for oxygen reduction reaction
Yuezeng Su et al.
CARBON (2013)
Natural triple excitations in local coupled cluster calculations with pair natural orbitals
Christoph Riplinger et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
A density functional theory study on oxygen reduction reaction on nitrogen-doped graphene
Jing Zhang et al.
JOURNAL OF MOLECULAR MODELING (2013)
Oxygen Reduction Electrocatalysis Using N-Doped Graphene Quantum-Dots
Wissam A. Saidi
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Sulfur-Doped Graphene as an Efficient Metal-free Cathode Catalyst for Oxygen Reduction
Zhi Yang et al.
ACS NANO (2012)
Sulfur and Nitrogen Dual-Doped Mesoporous Graphene Electrocatalyst for Oxygen Reduction with Synergistically Enhanced Performance
Ji Liang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Density Functional Theory Study of the Oxygen Reduction Reaction on a Cobalt-Polypyrrole Composite Catalyst
Xin Chen et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Phosphorus-Doped Ordered Mesoporous Carbons with Different Lengths as Efficient Metal-Free Electrocatalysts for Oxygen Reduction Reaction in Alkaline Media
Dae-Soo Yang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Review on Recent Progress in Nitrogen-Doped Graphene: Synthesis, Characterization, and Its Potential Applications
Haibo Wang et al.
ACS CATALYSIS (2012)
Nitrogen-Promoted Self-Assembly of N-Doped Carbon Nanotubes and Their Intrinsic Catalysis for Oxygen Reduction in Fuel Cells
Zhijian Wang et al.
ACS NANO (2011)
Oxygen reduction reaction mechanism on nitrogen-doped graphene: A density functional theory study
Liang Yu et al.
JOURNAL OF CATALYSIS (2011)
Density Functional Theory Study of the Oxygen Reduction Reaction on Metalloporphyrins and Metallophthalocyanines
Shaorui Sun et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Mechanisms of Oxygen Reduction Reaction on Nitrogen-Doped Graphene for Fuel Cells
Lipeng Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
A first principles study of oxygen reduction reaction on a Pt(111) surface modified by a subsurface transition metal M (M = Ni, Co, or Fe)
Zhiyao Duan et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Nitrogen-Doped Graphene as Efficient Metal-Free Electrocatalyst for Oxygen Reduction in Fuel Cells
Liangti Qu et al.
ACS NANO (2010)
Metal-Free Heterogeneous Catalysis for Sustainable Chemistry
Dang Sheng Su et al.
CHEMSUSCHEM (2010)
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
M. Valiev et al.
COMPUTER PHYSICS COMMUNICATIONS (2010)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
What are batteries, fuel cells, and supercapacitors?
M Winter et al.
CHEMICAL REVIEWS (2004)
Share Paper
