Theoretical insights into multi-metal atoms embedded nitrogen-doped graphene as efficient bifunctional catalysts for oxygen reduction and evolution reactions

N-doped carbon nanosheets supported-single Fe atom for p-nitrophenol degradation via peroxymonosulfate activation

(2022) Ziyan Du et al.   APPLIED SURFACE SCIENCE

Unraveling the mechanism of ligands regulating electronic structure of MN4 sites with optimized ORR catalytic performance

(2022) Bing Li et al.   APPLIED SURFACE SCIENCE

Ab initio investigations of Fe(110)/graphene interfaces

(2022) Stephen Hocker et al.   APPLIED SURFACE SCIENCE

Graphene-Based Dual-Metal Sites for Oxygen Reduction Reaction: A Theoretical Study

(2021) Jiayi Xu et al.   Journal of Physical Chemistry C

Modeling Charge Redistribution at Magnetite Interfaces in Empirical Force Fields

(2021) Mine Konuk et al.   Journal of Physical Chemistry C

Fe, N-doped graphene-wrapped carbon black nanoparticles as highly efficient catalyst towards oxygen reduction reaction

(2021) Yibo Tang et al.   APPLIED SURFACE SCIENCE

Synergistic effect on the four-electron ORR of the electro-Fenton system to remove micropollutants using an MOF-derived catalyst with carbon black

(2021) Can Zuo et al.   APPLIED SURFACE SCIENCE

MOF derived Ni-Fe based alloy carbon material for efficient bifunctional electrocatalyst applied in Zn-air battery

(2021) Ya-yun Li et al.   APPLIED SURFACE SCIENCE

A hierarchical architecture of Fe/Co/Ni-doped carbon nanotubes/nanospheres grafted on graphene as advanced bifunctional electrocatalyst for Zn-Air batteries

(2021) Xing Chen et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Toward a mechanistic understanding of electrocatalytic nanocarbon

(2021) Erik J. Askins et al.   Nature Communications

Origin of pure and C doped borophene stability and its activity for OER

(2021) Erakulan E.S. et al.   APPLIED SURFACE SCIENCE

Engineering dual metal single-atom sites with the nitrogen-coordinated nonprecious catalyst for oxygen reduction reaction (ORR) in acidic electrolyte

(2021) Hussein Gharibi et al.   APPLIED SURFACE SCIENCE

Revealing of Active Sites and Catalytic Mechanism in N-Coordinated Fe, Ni Dual-Doped Carbon with Superior Acidic Oxygen Reduction than Single-Atom Catalyst

(2020) Yaodan Zhou et al.   Journal of Physical Chemistry Letters

Edge-sited Fe-N4 atomic species improve oxygen reduction activity via boosting O2 dissociation

(2020) Ruguang Ma et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

The favourable synergistic operation of photocatalysis and catalytic oxygen reduction reaction by a novel heterogeneous CoFe2O4-TiO2 nanocomposite

(2020) Qiong Sun et al.   APPLIED SURFACE SCIENCE

Understanding active sites and mechanism of oxygen reduction reaction on FeN4–doped graphene from DFT study

(2020) Ying Yang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

First-principles DFT insights into the adsorption of hydrazine on bimetallic β1-NiZn catalyst: Implications for direct hydrazine fuel cells

(2020) Russell W. Cross et al.   APPLIED SURFACE SCIENCE

In-situ synthesis of Co nanoparticles encapsulated in mesoporous Co, N-codoped graphene-like carbon hybrid as an efficient oxygen reduction electrocatalyst

(2020) Guang-Lan Li et al.   APPLIED SURFACE SCIENCE

TMN4 complex embedded graphene as bifunctional electrocatalysts for high efficiency OER/ORR

(2020) Zhe Xue et al.   Journal of Energy Chemistry

Bifunctional mechanism of N, P co-doped graphene for catalyzing oxygen reduction and evolution reactions

(2019) Xiong-Xiong Xue et al.   JOURNAL OF CHEMICAL PHYSICS

Evaluating the Catalytic Efficiency of Paired, Single-Atom Catalysts for the Oxygen Reduction Reaction

(2019) Michelle A. Hunter et al.   ACS Catalysis

A review of oxygen reduction mechanisms for metal-free carbon-based electrocatalysts

(2019) Ruguang Ma et al.   npj Computational Materials

Role of local coordination in bimetallic sites for oxygen reduction: A theoretical analysis

(2019) Yuqi Yang et al.   Journal of Energy Chemistry

Improved Oxygen Reduction Activity in Heteronuclear FeCo-Codoped Graphene: A Theoretical Study

(2019) Yanan Meng et al.   ACS Sustainable Chemistry & Engineering

Engineering Local Coordination Environments of Atomically Dispersed and Heteroatom‐Coordinated Single Metal Site Electrocatalysts for Clean Energy‐Conversion

(2019) Yuanzhi Zhu et al.   Advanced Energy Materials

Theoretical insight into the catalytic activities of oxygen reduction reaction on transition metal–N4 doped graphene

(2018) Cong Yin et al.   NEW JOURNAL OF CHEMISTRY

Edge-Site Engineering of Atomically Dispersed Fe–N4 by Selective C–N Bond Cleavage for Enhanced Oxygen Reduction Reaction Activities

(2018) Rui Jiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Design of N-Coordinated Dual-Metal Sites: A Stable and Active Pt-Free Catalyst for Acidic Oxygen Reduction Reaction

(2017) Jing Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A van der Waals DFT study of PtH 2 systems absorbed on pristine and defective graphene

(2016) Ignacio López-Corral et al.   APPLIED SURFACE SCIENCE

Development of MOF-Derived Carbon-Based Nanomaterials for Efficient Catalysis

(2016) Kui Shen et al.   ACS Catalysis

N-doped graphene as catalysts for oxygen reduction and oxygen evolution reactions: Theoretical considerations

(2014) Mingtao Li et al.   JOURNAL OF CATALYSIS

Density-Functional-Theory Calculation Analysis of Active Sites for Four-Electron Reduction of O2 on Fe/N-Doped Graphene

(2014) Wei Liang et al.   ACS Catalysis

Electrocatalyst approaches and challenges for automotive fuel cells

(2012) Mark K. Debe   NATURE

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions

(2011) Federico Calle-Vallejo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High-Performance Electrocatalysts for Oxygen Reduction Derived from Polyaniline, Iron, and Cobalt

(2011) G. Wu et al.   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