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Cooperation between single atom catalyst and support to promote nitrogen electroreduction to ammonia: A theoretical insight

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Recent Advances in Layered-Double-Hydroxides Based Noble Metal Nanoparticles Efficient Electrocatalysts

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Nanomaterials, 2021, 11, 2644
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Computational Study of Low-Energy Pt-Ion Implantation into Graphene for Single-Atom Catalysis

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Controllable Repairing the Single Vacancies of Bc3 Monolayer Using Co and Bf Molecules: A First-Principles Study

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Advancements and insights into single-atom catalysts for environmental and energy applications

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Desirable Pore Connectivity Effects in Multiscale Interactive Cobalt Centers with Asymmetric B/N‐Coordination Carbon for Promoting Zn‐Air Batteries

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Coordination-tailored d-Orbital Occupancy: A Catalytic Descriptor for Single-atom Electrocatalysts in Oxygen Reduction Reaction

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The rise of borophene

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Recent Progress in the Design and Application of Strong Metal–Support Interactions in Electrocatalysis

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Controllable repairing the single vacancies of BC3 monolayer using CO and BF molecules: A first-principles study

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Heteroatom doping regulates the catalytic performance of single-atom catalyst supported on graphene for ORR

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Density Functional Theory Study of Nanostructured Pd–C4N/XMoY (X, Y = S, Se, Te) Heterostructures for Oxygen Reduction, Oxygen Evolution, and Hydrogen Evolution Reactions

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Single Transition Metal Atom Anchored in C3b a Efficient and Selective Electrocatalyst for Nitrogen Reduction Reaction

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First‐Row Transition Metals for Catalyzing Oxygen Redox

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Coordination environments tune the activity of oxygen catalysis on single atom catalysts: A computational study

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Oxygen Electrocatalytic Activity Investigation for a Single Co Atom with Diverse Coordination Environments on the h-BCN Monolayer

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Bifunctional Single Atom Catalysts for Rechargeable Zinc–Air Batteries: From Dynamic Mechanism to Rational Design

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Dual-metal atoms embedded into two-dimensional covalent organic framework as efficient electrocatalysts for oxygen evolution reaction: A DFT study

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Unveiling the electrocatalytic potential of main-group metal-embedded BC3 monolayer for highly efficient NO reduction to NH3

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Single Ir atom anchored in pyrrolic-N4 doped graphene as a promising bifunctional electrocatalyst for the ORR/OER: a computational study

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Tuning lattice strain in biphenylene for enhanced electrocatalytic oxygen reduction reaction in proton exchange membrane fuel cells

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Single-Step Electrochemical Deposition of Transition Metal-Doped CoNi@Ti Nano-Flowers for Enhanced Oxygen Evolution Reaction

Dawit Tibebu Haile, Teketel Yohannes and Getachew Adam Workneh

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Non-precious metal activated MoSi2N4 monolayers for high-performance OER and ORR electrocatalysts: A first-principles study

Song Lu, Yang Zhang, Fengliu Lou, Kun Guo and Zhixin Yu

Applied Surface Science, 2022, 579, 152234
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2D transitional-metal nickel compounds monolayer: Highly efficient multifunctional electrocatalysts for the HER, OER and ORR

Yuhua Wei, Haicai Huang, Feng Gao and Gang Jiang

International Journal of Hydrogen Energy, 2023, 48, 4242
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Single transition metal anchored on defective boron carbide monolayer for efficient and selective CO2 electrochemical reduction: A theoretical study

Guanru Xing, Shize Liu and Jing-yao Liu

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Descriptor for C2N-Supported Single-Cluster Catalysts in Bifunctional Oxygen Evolution and Reduction Reactions

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Modulating the Local Coordination Environment of Single‐Atom Catalysts for Enhanced Catalytic Performance in Hydrogen/Oxygen Evolution Reaction

Gracita M. Tomboc, Taekyung Kim, Sangmin Jung, Hyo Jae Yoon and Kwangyeol Lee

Small, 2022, 18
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