Effective Screening Descriptor for MXenes to Enhance Sulfur Reduction in Lithium–Sulfur Batteries DOI
Min Fang, Jiawei Han,

Shiyu He

et al.

Journal of the American Chemical Society, Journal Year: 2023, Volume and Issue: 145(23), P. 12601 - 12608

Published: June 5, 2023

MXenes, two-dimensional transition (2D) metal carbides/nitrides, have shown promise as cathodic catalysts for accelerating the conversion of lithium polysulfides (LiPSs) in lithium-sulfur (Li-S) batteries due to their diverse redox-active sites and rapid electron transfer. However, efficiently screening optimal out thousands MXenes is challenging. To address this, we developed a model that accurately predicts thermodynamic energy barrier rate-limiting step Li-S batteries. Our relates local chemical reactivity MXene p-band center terminations electronegativity subsurface metals. The accuracy was verified through density functional theory calculations contrast experiments pure Zn-doping qualitatively. By utilizing this model, screened large library (27 types five-atom-layer MXenes) identified Ti2CS2, Mo2CS2, W2CS2 potential

Language: Английский

Current and future trends for spinel-type electrocatalysts in electrocatalytic oxygen evolution reaction DOI
Hui Xu, Jingjing Yuan, Guangyu He

et al.

Coordination Chemistry Reviews, Journal Year: 2022, Volume and Issue: 475, P. 214869 - 214869

Published: Oct. 14, 2022

Language: Английский

Citations

183

Toward Electrocatalytic Methanol Oxidation Reaction: Longstanding Debates and Emerging Catalysts DOI Open Access
Jianmei Wang, Bingxing Zhang, Wei Guo

et al.

Advanced Materials, Journal Year: 2023, Volume and Issue: 35(26)

Published: Jan. 27, 2023

The study of direct methanol fuel cells (DMFCs) has lasted around 70 years, since the first investigation in early 1950s. Though enormous effort been devoted this field, it is still far from commercialization. oxidation reaction (MOR), as a semi-reaction DMFCs, bottleneck that restricts overall performance DMFCs. To date, there intense debate on complex six-electron reaction, but barely any reviews have systematically discussed topic. end, controversies and progress regarding electrocatalytic mechanisms, evaluations well design science toward MOR electrocatalysts are summarized. This review also provides comprehensive introduction recent development emerging with focus innovation alloy, core-shell structure, heterostructure, single-atom catalysts. Finally, perspectives future outlook mechanisms provided.

Language: Английский

Citations

161

Engineering electron redistribution of bimetallic phosphates with CeO2 enables high-performance overall water splitting DOI
Xin Guo, Menggang Li,

Longyu Qiu

et al.

Chemical Engineering Journal, Journal Year: 2022, Volume and Issue: 453, P. 139796 - 139796

Published: Oct. 15, 2022

Language: Английский

Citations

104

Theory-guided electrocatalyst engineering: From mechanism analysis to structural design DOI
Mingcheng Zhang, Kexin Zhang, Xuan Ai

et al.

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION), Journal Year: 2022, Volume and Issue: 43(12), P. 2987 - 3018

Published: Nov. 9, 2022

Language: Английский

Citations

103

Surface reconstruction and directed electron transport in NiSe2/MoSe2 Mott-Schottky heterojunction catalysts promote urea-assisted water splitting DOI
Xiaocheng Xu, Haijun Liao, Le Huang

et al.

Applied Catalysis B Environment and Energy, Journal Year: 2023, Volume and Issue: 341, P. 123312 - 123312

Published: Sept. 20, 2023

Language: Английский

Citations

103

Advances in Selective Electrochemical Oxidation of 5‐Hydroxymethylfurfural to Produce High‐Value Chemicals DOI Creative Commons
Lei Guo, Xiaoxue Zhang, Li Gan

et al.

Advanced Science, Journal Year: 2022, Volume and Issue: 10(4)

Published: Dec. 8, 2022

The conversion of biomass is a favorable alternative to the fossil energy route solve crisis and environmental pollution. As one most versatile platform compounds, 5-hydroxymethylfural (HMF) can be transformed various value-added chemicals via electrolysis combining with renewable energy. Here, recent advances in electrochemical oxidation HMF, from reaction mechanism reactor design are reviewed. First, pathway summarized systematically. Second, parameters easy ignored emphasized discussed. Then, electrocatalysts reviewed comprehensively for different products reactors introduced. Finally, future efforts on exploring mechanism, electrocatalysts, prospected. This review provides deeper understanding electrocatalyst reactor, which expected promote economical efficient industrial applications.

Language: Английский

Citations

97

Fullerene Lattice‐Confined Ru Nanoparticles and Single Atoms Synergistically Boost Electrocatalytic Hydrogen Evolution Reaction DOI

Tianmi Luo,

Jianfeng Huang, Yuzhu Hu

et al.

Advanced Functional Materials, Journal Year: 2023, Volume and Issue: 33(12)

Published: Jan. 5, 2023

Abstract The design and construction of electrocatalysts with high efficiency, low cost large current output suitable for industrial hydrogen production is the development trend water electrolysis. Herein, a lattice‐confined in situ reduction effect 3D crystalline fullerene network (CFN) developed to trap Ru nanoparticle (NP) single atom (SA) via solvothermal‐pyrolysis process. optimized product (Ru NP ‐Ru SA @CFN‐800) exhibits outstanding electrocatalytic performance alkaline evolution reactions. To deliver density 10 mA cm −2 , @CFN‐800 merely required an overpotential 33 mV, along robust durability 1400 h. Even at densities 500 1000 overpotentials are only 154 251 respectively. Density function theorey calculation results indicated that electronic synergetic between enable regulate charge distribution reduce Gibbs free energy intermediate species dissociation process, thereby accelerating Moreover, CFN matrix render this strategy patulous other transition metals, e.g., Cu, Ni, Co. present study provides new clue novel electrocatalyst field storage conversion.

Language: Английский

Citations

97

Co3O4 with upshifted d-band center and enlarged specific surface area by single-atom Zr doping for enhanced PMS activation DOI
Hang Zhang,

Qi An,

Yan Su

et al.

Journal of Hazardous Materials, Journal Year: 2023, Volume and Issue: 448, P. 130987 - 130987

Published: Feb. 10, 2023

Language: Английский

Citations

96

Advanced electrocatalysts with unusual active sites for electrochemical water splitting DOI Creative Commons
Hainan Sun, Xiaomin Xu, Hyunseung Kim

et al.

InfoMat, Journal Year: 2023, Volume and Issue: 6(1)

Published: Nov. 27, 2023

Abstract Electrochemical water splitting represents a promising technology for green hydrogen production. To design advanced electrocatalysts, it is crucial to identify their active sites and interpret the relationship between structures performance. Materials extensively studied as electrocatalysts include noble‐metal‐based (e.g., Ru, Ir, Pt) non‐noble‐metal‐based 3d transition metals) compounds. Recently, advancements in characterization techniques theoretical calculations have revealed novel unusual sites. The present review highlights latest achievements discovery identification of various unconventional electrochemical splitting, with focus on state‐of‐the‐art strategies determining true establishing structure–activity relationships. Furthermore, we discuss remaining challenges future perspectives development next‐generation By presenting fresh perspective reaction involved this aims provide valuable guidance study industrial applications. image

Language: Английский

Citations

95

Vertically grown p–n heterojunction FeCoNi LDH/CuO arrays with modulated interfacial charges to facilitate the electrocatalytic oxygen evolution reaction DOI
Qi Ouyang, Shichao Cheng, Chunhui Yang

et al.

Journal of Materials Chemistry A, Journal Year: 2022, Volume and Issue: 10(22), P. 11938 - 11947

Published: Jan. 1, 2022

The built-in electric field at the heterogeneous interface makes FeCoNi LDH in p–n heterojunction LDH/CuO more positively charged, which is favorable for adsorption of OH − , leading to promoted OER activity alkaline media.

Language: Английский

Citations

94