Oxygen-Vacancy-Engineered Cr₂CO₂ Electrocatalysts for Efficient Urea Synthesis from Nitrite and Carbon Monoxide DOI

Tiantian Zhao,

Siyao Wang, Daifei Ye

et al.

Applied Catalysis B Environment and Energy, Journal Year: 2025, Volume and Issue: unknown, P. 125327 - 125327

Published: March 1, 2025

Language: Английский

Metal-support interaction promoted multifunctional electrocatalysis on PtCo/NC with ultralow Pt loading for oxygen reduction reaction and zinc-air battery DOI

Manting Zhang,

Tingting Zhou, Danil Bukhvalov

et al.

Applied Catalysis B Environment and Energy, Journal Year: 2023, Volume and Issue: 337, P. 122976 - 122976

Published: June 9, 2023

Language: Английский

Citations

48
Two‐Dimensional Organometallic Frameworks with Pyridinic Single‐Metal‐Atom Sites for Bifunctional ORR/OER DOI
Tianyang Liu, Yu Wang, Yafei Li

et al.

Advanced Functional Materials, Journal Year: 2022, Volume and Issue: 32(44)

Published: Aug. 11, 2022

Abstract Achieving efficient bifunctional oxygen reduction and evolution reactions (ORR/OER) on non‐noble metal catalysts is desirable but remains a significant challenge. Herein, inspired by the experimentally synthesized (phen 2 N )FeCl molecule, stable 2D organometallic framework, namely monolayer, proposed as qualified candidate means of constant‐potential first‐principles computations. Unlike most frameworks that feature pyrrolic coordination, monolayer exhibits pyridinic‐type FeN 4 ligation environment. The unique structure enables high single‐atom Fe loading in heterogeneous system, superior to typical FeNC materials. Constant‐potential energy analysis microkinetic modeling demonstrate holds great potential for facilitating ORR/OER both acidic alkaline conditions, showing theoretical activity higher than materials, Pt/IrO . Moreover, )MCl monolayers (M = Mn, Co, Ni) are explored, )MnCl also identified have excellent activity. This study highlights rational design local coordination environments boosting electrocatalytic performance frameworks.

Language: Английский

Citations

68
Why heterogeneous single-atom catalysts preferentially produce CO in the electrochemical CO2 reduction reaction DOI Creative Commons
Yu Wang, Tianyang Liu, Yafei Li

et al.

Chemical Science, Journal Year: 2022, Volume and Issue: 13(21), P. 6366 - 6372

Published: Jan. 1, 2022

This report discloses a nontrivial role of the CO 2 adsorption mode in governing CO/formate selectivity single-atom catalysts towards two-electron reduction.

Language: Английский

Citations

56
Biphenylene monolayer: a novel nonbenzenoid carbon allotrope with potential application as an anode material for high-performance sodium-ion batteries DOI
Ting Han, Yu Liu, Xiaodong Lv

et al.

Physical Chemistry Chemical Physics, Journal Year: 2022, Volume and Issue: 24(18), P. 10712 - 10716

Published: Jan. 1, 2022

Allotrope metal structures composed of carbon as anode materials for metal-ion batteries are a current research hotspot. In this work, the recently synthesized graphene allotrope, two-dimensional (2D) biphenylene, consisting tetragonal, hexagonal and octagonal rings, was explored theoretically. Our first-principles calculations verified that 2D biphenylene has dynamical, mechanical thermal stability exhibits metallic features. Its novel structure can provide multiple adsorption sites Na ions, fast charge-discharge rate (low migration barriers <0.2 eV) high theoretical capacity (1075.37 mA h g-1). These superior properties, combined with its abundance light mass, make monolayer promising high-performance sodium-ion (SIBs).

Language: Английский

Citations

55
Edge‐Site‐Free and Topological‐Defect‐Rich Carbon Cathode for High‐Performance Lithium‐Oxygen Batteries DOI Creative Commons
Wei Yu, Takeharu Yoshii, Alex Aziz

et al.

Advanced Science, Journal Year: 2023, Volume and Issue: 10(16)

Published: April 7, 2023

The rational design of a stable and catalytic carbon cathode is crucial for the development rechargeable lithium-oxygen (LiO

Language: Английский

Citations

35
Biphenylene with doping B/N as promising metal-free single-atom catalysts for electrochemical oxygen reduction reaction DOI
Zhen Feng, Bingjie Zhang, Renyi Li

et al.

Journal of Power Sources, Journal Year: 2023, Volume and Issue: 558, P. 232613 - 232613

Published: Jan. 3, 2023

Language: Английский

Citations

28
Cooperation between single atom catalyst and support to promote nitrogen electroreduction to ammonia: A theoretical insight DOI

Wanying Guo,

Siyao Wang, Hongxia Wang

et al.

Journal of Energy Chemistry, Journal Year: 2024, Volume and Issue: 96, P. 336 - 344

Published: May 11, 2024

Language: Английский

Citations

11
Selective CO2 Reduction over γ-Graphyne Supported Single-Atom Catalysts: Crucial Role of Strain Regulation DOI
Tianyang Liu,

Tianze Xu,

Tianchun Li

et al.

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(34), P. 24133 - 24140

Published: Aug. 14, 2024

The two-electron CO

Language: Английский

Citations

11
Applying machine-learning screening of single transition metal atoms anchored on N-doped γ-graphyne for carbon monoxide electroreduction toward C1 products DOI

Dongxu Jiao,

Dantong Zhang,

Dewen Wang

et al.

Nano Research, Journal Year: 2023, Volume and Issue: 16(8), P. 11511 - 11520

Published: June 15, 2023

Language: Английский

Citations

19
Interface engineering of transition metal-nitrogen-carbon by graphdiyne for boosting the oxygen reduction/evolution reactions: A computational study DOI
Tingyu Yan, Xinyi Li, Zhongxu Wang

et al.

Journal of Colloid and Interface Science, Journal Year: 2023, Volume and Issue: 649, P. 1 - 9

Published: June 15, 2023

Language: Английский

Citations

18