Electronic properties and oxygen reduction reaction catalytic activity of h-BeN2 and MgN2 by first-principles calculations

Effects of Intrinsic Pentagon Defects on Electrochemical Reactivity of Carbon Nanomaterials

(2019) Jiawei Zhu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Promising Photocatalysts for Water Splitting in BeN2 and MgN2 Monolayers

(2018) Yining Wei et al.   Journal of Physical Chemistry C

The progress of metal-free catalysts for the oxygen reduction reaction based on theoretical simulations

(2018) Yujin Ji et al.   Journal of Materials Chemistry A

Nanocarbon-intercalated and Fe–N-codoped graphene as a highly active noble-metal-free bifunctional electrocatalyst for oxygen reduction and evolution

(2017) Daping He et al.   Journal of Materials Chemistry A

Monolayer group IVA monochalcogenides as potential and efficient catalysts for the oxygen reduction reaction from first-principles calculations

(2017) Yujin Ji et al.   Journal of Materials Chemistry A

Engineered Graphene Materials: Synthesis and Applications for Polymer Electrolyte Membrane Fuel Cells

(2016) Daping He et al.   ADVANCED MATERIALS

Potential Application of Novel Boron-Doped Graphene Nanoribbon as Oxygen Reduction Reaction Catalyst

(2016) Lu Wang et al.   Journal of Physical Chemistry C

A Honeycomb BeN2 Sheet with a Desirable Direct Band Gap and High Carrier Mobility

(2016) Cunzhi Zhang et al.   Journal of Physical Chemistry Letters

Transition metal/nitrogen dual-doped mesoporous graphene-like carbon nanosheets for the oxygen reduction and evolution reactions

(2016) Xiaobo Liu et al.   Nanoscale

Catalysis with two-dimensional materials and their heterostructures

(2016) Dehui Deng et al.   Nature Nanotechnology

Single-layered platinum nanocage: a highly selective and efficient catalyst for fuel cells

(2016) Arup Mahata et al.   Journal of Materials Chemistry A

High-quality phosphorus-doped MoS2 ultrathin nanosheets with amenable ORR catalytic activity

(2015) Hao Huang et al.   CHEMICAL COMMUNICATIONS

Theoretical investigations on SiC2 siligraphene as promising metal-free catalyst for oxygen reduction reaction

(2015) Huilong Dong et al.   JOURNAL OF POWER SOURCES

The mechanisms of oxygen reduction reaction on phosphorus doped graphene: A first-principles study

(2015) Xilin Zhang et al.   JOURNAL OF POWER SOURCES

Incorporated oxygen in MoS2 ultrathin nanosheets for efficient ORR catalysis

(2015) Hao Huang et al.   Journal of Materials Chemistry A

Boron-doped graphene as active electrocatalyst for oxygen reduction reaction at a fuel-cell cathode

(2014) Gianluca Fazio et al.   JOURNAL OF CATALYSIS

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

(2014) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

Boron Nitride Nanosheet on Gold as an Electrocatalyst for Oxygen Reduction Reaction: Theoretical Suggestion and Experimental Proof

(2014) Kohei Uosaki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nitrogen-doped graphdiyne as a metal-free catalyst for high-performance oxygen reduction reactions

(2014) Rongji Liu et al.   Nanoscale

Synthesis of Phosphorus-Doped Graphene and its Multifunctional Applications for Oxygen Reduction Reaction and Lithium Ion Batteries

(2013) Chenzhen Zhang et al.   ADVANCED MATERIALS

Optical Spectrum ofMoS2: Many-Body Effects and Diversity of Exciton States

(2013) Diana Y. Qiu et al.   PHYSICAL REVIEW LETTERS

Sulfur and Nitrogen Dual-Doped Mesoporous Graphene Electrocatalyst for Oxygen Reduction with Synergistically Enhanced Performance

(2012) Ji Liang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Metal–air batteries: from oxygen reduction electrochemistry to cathode catalysts

(2012) Fangyi Cheng et al.   CHEMICAL SOCIETY REVIEWS

Facile Synthesis of Nitrogen-Doped Graphene via Pyrolysis of Graphene Oxide and Urea, and its Electrocatalytic Activity toward the Oxygen-Reduction Reaction

(2012) Ziyin Lin et al.   Advanced Energy Materials

Sulfur-Doped Graphene as an Efficient Metal-free Cathode Catalyst for Oxygen Reduction

(2011) Zhi Yang et al.   ACS Nano

Graphene-Based Carbon Nitride Nanosheets as Efficient Metal-Free Electrocatalysts for Oxygen Reduction Reactions

(2011) Shubin Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures

(2011) Jack Deslippe et al.   COMPUTER PHYSICS COMMUNICATIONS

Synthesis of boron doped graphene for oxygen reduction reaction in fuel cells

(2011) Zhen-Huan Sheng et al.   JOURNAL OF MATERIALS CHEMISTRY

Mechanistic Discussion of the Oxygen Reduction Reaction at Nitrogen-Doped Carbon Nanotubes

(2011) Jaclyn D. Wiggins-Camacho et al.   Journal of Physical Chemistry C

Mechanisms of Oxygen Reduction Reaction on Nitrogen-Doped Graphene for Fuel Cells

(2011) Lipeng Zhang et al.   Journal of Physical Chemistry C

Oxygen reduction reactions on pure and nitrogen-doped graphene: a first-principles modeling

(2011) Danil W. Boukhvalov et al.   Nanoscale

A review of polymer electrolyte membrane fuel cells: Technology, applications, and needs on fundamental research

(2010) Yun Wang et al.   APPLIED ENERGY

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

(2010) Andrew A. Peterson et al.   Energy & Environmental Science

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis

(2010) Marc T.M. Koper   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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(2009) Hubert A. Gasteiger et al.   SCIENCE

First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111)

(2008) Michael J. Janik et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY