Single noble metals (Pd, Pt and Ir) anchored Janus MoSSe monolayers: Efficient oxygen reduction/evolution reaction bifunctional electrocatalysts and harmful gas detectors

Synthesis of molecular metallic barium superhydride: pseudocubic BaH12

(2021) Wuhao Chen et al.   Nature Communications

Single Transition Metal Atom Bound to the Unconventional Phase of the MoS2 Monolayer for Catalytic Oxygen Reduction Reaction: A First-Principles Study

(2021) Faling Ling et al.   ACS Applied Materials & Interfaces

Photocatalytic activity of co-doped Janus monolayer MoSSe for solar water splitting: A computational investigation

(2021) Fei Zhao et al.   APPLIED SURFACE SCIENCE

Single Ir Atom Anchored in Pyrrolic-N4 doped Graphene as A Promising Bifunctional Electrocatalyst for the ORR/OER: A Computational Study

(2021) Xinyi Li et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Gas (CO and NO) adsorption and sensing based on transition metals functionalized Janus MoSSe

(2021) Pengfei Wu et al.   APPLIED SURFACE SCIENCE

Single transition metal atom modified MoSe2 as a promising electrocatalyst for nitrogen Fixation: A first-principles study

(2021) Can Chen et al.   CHEMICAL PHYSICS LETTERS

1 T-MoSe2 monolayer supported single Pd atom as a highly-efficient bifunctional catalyst for ORR/OER

(2021) Zengming Qin et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Pt5Se4 Monolayer: A Highly Efficient Electrocatalyst towards Hydrogen and Oxygen Electrode Reactions

(2020) Jun-Hui Yuan et al.   ACS Applied Materials & Interfaces

Mechanism of Electrocatalytically Active Precious Metal (Ni, Pd, Pt, and Ru) Complexes in the Graphene Basal Plane for ORR Applications in Novel Fuel Cells

(2020) Weibin Zhang et al.   ENERGY & FUELS

Trifunctional Electrocatalysts with High Efficiency for the Oxygen Reduction Reaction, Oxygen Evolution Reaction, and Na–O2 Battery in Heteroatom-Doped Janus Monolayer MoSSe

(2020) Qian Wu et al.   ACS Applied Materials & Interfaces

Graphene Incorporation as a Propitious Approach for Improving the Oxygen Reduction Reaction (ORR) Activity of Self-assembled Polycrystalline NiCo2O4–NiO

(2020) Loredana Preda et al.   Electrocatalysis

Two-Dimensional Metal Hexahydroxybenzene Frameworks as Promising Electrocatalysts for an Oxygen Reduction Reaction

(2020) Juan Zhang et al.   ACS Sustainable Chemistry & Engineering

Fe Single Atom on MoS2 Nanosheets for N2 Electroreduction into Ammonia

(2020) Hongyang Su et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Recent Progress on NiFe‐Based Electrocatalysts for the Oxygen Evolution Reaction

(2020) Jia Zhao et al.   Small

N2 reduction using single transition-metal atom supported on defective WS2 monolayer as promising catalysts: A DFT study

(2019) Xinguo Ma et al.   APPLIED SURFACE SCIENCE

Theoretical Screening of Single-Atom-Embedded MoSSe Nanosheets for Electrocatalytic N2 Fixation

(2019) Lei Li et al.   Journal of Physical Chemistry C

Fe 2 O 3 Nanoparticles Modified 2D N‐Doped Porous Graphene‐like Carbon as an Efficient and Robust Electrocatalyst for Oxygen Reduction Reaction

(2019) Yuzhen Ye et al.   ChemistrySelect

Transition Metal-Functionalized Janus MoSSe Monolayer: A Magnetic and Efficient Single-Atom Photocatalyst for Water-Splitting Applications

(2019) Xiangchao Ma et al.   Journal of Physical Chemistry C

Multifunctional electrocatalyst PtM with low Pt loading and high activity towards hydrogen and oxygen electrode reactions: A computational study

(2019) Xingshuai Lv et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Defect engineered MoSSe Janus monolayer as a promising two dimensional material for NO2 and NO gas sensing

(2019) Rajneesh Chaurasiya et al.   APPLIED SURFACE SCIENCE

A review on NiFe-based electrocatalysts for efficient alkaline oxygen evolution reaction

(2019) Jamesh Mohammed-Ibrahim   JOURNAL OF POWER SOURCES

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

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

Well-Defined Materials for Heterogeneous Catalysis: From Nanoparticles to Isolated Single-Atom Sites

(2019) Zhi Li et al.   CHEMICAL REVIEWS

Activity Origin and Design Principles for Oxygen Reduction on Dual-Metal-Site Catalysts: A Combined Density Functional Theory and Machine Learning Study

(2019) Xiaorong Zhu et al.   Journal of Physical Chemistry Letters

Stability of High-Performance Pt-Based Catalysts for Oxygen Reduction Reactions

(2018) Rui Lin et al.   ADVANCED MATERIALS

Layered transition metal dichalcogenide electrochemistry: journey across the periodic table

(2018) Xinyi Chia et al.   CHEMICAL SOCIETY REVIEWS

Transition metal anchored C2N monolayers as efficient bifunctional electrocatalysts for hydrogen and oxygen evolution reactions

(2018) Xu Zhang et al.   Journal of Materials Chemistry A

A Janus MoSSe monolayer: a potential wide solar-spectrum water-splitting photocatalyst with a low carrier recombination rate

(2018) Xiangchao Ma et al.   Journal of Materials Chemistry A

High-Density Ultra-small Clusters and Single-Atom Fe Sites Embedded in Graphitic Carbon Nitride (g-C3N4) for Highly Efficient Catalytic Advanced Oxidation Processes

(2018) Sufeng An et al.   ACS Nano

PtTe Monolayer: Two-Dimensional Electrocatalyst with High Basal Plane Activity toward Oxygen Reduction Reaction

(2018) Yu Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study

(2017) Jingxiang Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Janus monolayers of transition metal dichalcogenides

(2017) Ang-Yu Lu et al.   Nature Nanotechnology

Combining theory and experiment in electrocatalysis: Insights into materials design

(2017) Zhi Wei Seh et al.   SCIENCE

Computational screening for high-activity MoS2 monolayer-based catalysts for the oxygen reduction reaction via substitutional doping with transition metal

(2017) Zhongxu Wang et al.   Journal of Materials Chemistry A

Density Functional Theory Study of Iron Phthalocyanine Porous Layer Deposited on Graphene Substrate: A Pt-Free Electrocatalyst for Hydrogen Fuel Cells

(2016) Sean Mussell et al.   Journal of Physical Chemistry C

Electrochemical and Computational Study of Oxygen Reduction Reaction on Nonprecious Transition Metal/Nitrogen Doped Carbon Nanofibers in Acid Medium

(2016) Kexi Liu et al.   Journal of Physical Chemistry C

Thermally stable single-atom platinum-on-ceria catalysts via atom trapping

(2016) J. Jones et al.   SCIENCE

Photochemical route for synthesizing atomically dispersed palladium catalysts

(2016) P. Liu et al.   SCIENCE

Recent Trends and Perspectives in Electrochemical Water Splitting with an Emphasis on Sulfide, Selenide, and Phosphide Catalysts of Fe, Co, and Ni: A Review

(2016) Sengeni Anantharaj et al.   ACS Catalysis

A Ti-anchored Ti2CO2 monolayer (MXene) as a single-atom catalyst for CO oxidation

(2016) Xu Zhang et al.   Journal of Materials Chemistry A

Recent advancements in Pt and Pt-free catalysts for oxygen reduction reaction

(2015) Yao Nie et al.   CHEMICAL SOCIETY REVIEWS

Octahedral Pd@Pt1.8Ni Core–Shell Nanocrystals with Ultrathin PtNi Alloy Shells as Active Catalysts for Oxygen Reduction Reaction

(2015) Xu Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Reaction Pathway for Oxygen Reduction on FeN4 Embedded Graphene

(2014) Shyam Kattel et al.   Journal of Physical Chemistry Letters

The inherent kinetic electrochemical reduction of oxygen into H2O on FeN4-carbon: A density functional theory study

(2014) Jing Zhang et al.   JOURNAL OF POWER SOURCES

Atomic Layer-by-Layer Deposition of Pt on Pd Nanocubes for Catalysts with Enhanced Activity and Durability toward Oxygen Reduction

(2014) Shuifen Xie et al.   NANO LETTERS

Synthesis and Activities of Rutile IrO2 and RuO2 Nanoparticles for Oxygen Evolution in Acid and Alkaline Solutions

(2012) Youngmin Lee et al.   Journal of Physical Chemistry Letters

Electrocatalyst approaches and challenges for automotive fuel cells

(2012) Mark K. Debe   NATURE

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

(2011) Botao Qiao et al.   Nature Chemistry

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

Highly Efficient Metal-Free Growth of Nitrogen-Doped Single-Walled Carbon Nanotubes on Plasma-Etched Substrates for Oxygen Reduction

(2010) Dingshan Yu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Partial and complete reduction of O2 by hydrogen on transition metal surfaces

(2010) Denise C. Ford et al.   SURFACE SCIENCE

Nitrogen-Doped Carbon Nanotube Arrays with High Electrocatalytic Activity for Oxygen Reduction

(2009) K. Gong et al.   SCIENCE