Unraveling the Role of Defects in Electrocatalysts for Water Splitting: Recent Advances and Perspectives DOI

Liuchen Wang,

Chaoxia Peng,

Haoqing Lin

et al.

Energy & Fuels, Journal Year: 2022, Volume and Issue: 36(19), P. 11660 - 11690

Published: Sept. 17, 2022

The development of highly efficient and robust electrocatalysts plays a crucial role in the success sustainable energy conversion technologies, like electrochemical water splitting for hydrogen production. Defect engineering has been considered as an effective strategy to tune enhance activity. This review covers recent advances engineering, probing, understanding defects toward evolution reaction oxygen reaction. In particular, have comprehensively discussed summarized on basis both experimental results theoretical calculations. We further provide summary computational insight into defects. Finally, we propose critical challenges corresponding future directions.

Language: Английский

High Configuration Entropy Activated Lattice Oxygen for O2 Formation on Perovskite Electrocatalyst DOI
Lina Tang, Yanling Yang,

Hongquan Guo

et al.

Advanced Functional Materials, Journal Year: 2022, Volume and Issue: 32(28)

Published: April 13, 2022

Abstract The single‐phase oxides with elemental complexity and compositional diversity, usually named high entropy oxides, feature homogeneously dispersed multi‐metallic elements in equiatomic concentration. unusual properties of endow their potential application clean‐energy‐related electrocatalysis. However, the possible fundamental relationship between configuration underlying catalytic mechanism is still not well understood established. Herein, a perovskite cobaltate consisting five equimolar metals B‐site (Mg, Mn, Fe, Co, Ni) employed as an electrocatalyst for oxygen evolution reaction (OER). serves effective tool to promote intrinsic activity Co reactive site manipulate OER mechanism. demonstrates lower overpotential 320 mV at current density 10 mA cm −2 , outperforming other counterparts. X‐ray spectroscopies disclose synergistic charge‐exchange effect among different cations formation new hole state. Combinatorially computational experimental results unveil enigma that leads random occupation cations, facilitates surface reconstruction, benefits stable vacancies. Owing these merits, O 2 found be kinetically favorable via lattice

Language: Английский

Citations

202
The electronic structure of transition metal oxides for oxygen evolution reaction DOI Open Access
Hongxia Wang, Kelvin H. L. Zhang, Jan P. Hofmann

et al.

Journal of Materials Chemistry A, Journal Year: 2021, Volume and Issue: 9(35), P. 19465 - 19488

Published: Jan. 1, 2021

In this review article, we summarise the key electronic features of transition metal oxides that govern their OER catalytic properties, and how such descriptors are applied for electrocatalysts design.

Language: Английский

Citations

161
Recent advances in rare-earth-based materials for electrocatalysis DOI Creative Commons

Xuan Wang,

Yawen Tang, Jong‐Min Lee

et al.

Chem Catalysis, Journal Year: 2022, Volume and Issue: 2(5), P. 967 - 1008

Published: March 3, 2022

Language: Английский

Citations

155
High‐Valence Oxides for High Performance Oxygen Evolution Electrocatalysis DOI Creative Commons
Hao Wang, Tingting Zhai, Yifan Wu

et al.

Advanced Science, Journal Year: 2023, Volume and Issue: 10(22)

Published: May 30, 2023

Valence tuning of transition metal oxides is an effective approach to design high-performance catalysts, particularly for the oxygen evolution reaction (OER) that underpins solar/electric water splitting and metal-air batteries. Recently, high-valence (HVOs) are reported show superior OER performance, in association with fundamental dynamics charge transfer intermediates. Particularly considered adsorbate mechanism (AEM) lattice oxygen-mediated (LOM). High-valence states enhance performance mainly by optimizing e

Language: Английский

Citations

114
The Pivotal Role of s‐, p‐, and f‐Block Metals in Water Electrolysis: Status Quo and Perspectives DOI Creative Commons
Ziliang Chen, Hongyuan Yang, Zhenhui Kang

et al.

Advanced Materials, Journal Year: 2022, Volume and Issue: 34(18)

Published: Feb. 1, 2022

Abstract Transition metals, in particular noble are the most common species metal‐mediated water electrolysis because they serve as highly active catalytic sites. In many cases, presence of nontransition that is, s‐, p‐, and f‐block metals with high natural abundance earth‐crust material is indispensable to boost efficiency durability electrolysis. This why alkali alkaline‐earth rare‐earth lean metalloids receive growing interest this research area. spite pivotal role these tuning electrolysis, there far more room for developments toward a knowledge‐based catalyst design. review, five classes which successfully utilized special emphasis on electronic structure–catalytic activity relationships phase stability, discussed. Moreover, specific fundamental aspects electrocatalysts well perspective field also addressed account. It anticipated review can trigger broader using discovery advanced polymetal‐containing practical splitting.

Language: Английский

Citations

92
Design Insights into La2NiMnO6-Based Perovskite Solar Cells Employing Different Charge Transport Layers: DFT and SCAPS-1D Frameworks DOI
M. Khalid Hossain,

A. A. Arnab,

Dip Prakash Samajdar

et al.

Energy & Fuels, Journal Year: 2023, Volume and Issue: 37(17), P. 13377 - 13396

Published: Aug. 11, 2023

Nontoxic and inorganic lead-free double perovskite La2NiMnO6 (LNMO) has achieved tremendous attention as an absorber layer of a solar cell (SC) structure due to its outstanding optoelectronic properties support photovoltaic (PV) applications. In order check the feasibility LNMO potential SC material, structural, electronic, optical are computed within realm density functional theory (DFT). The energy band diagram confirms that is degenerate semiconductor with indirect gap (Eg) ∼0.58 eV. addition, states (DOS) implies d-orbital electron Mn Ni elements p-orbitals O contributed significantly electronic conductivity material. charge map Mulliken population analyses manifest robust accumulation around atom strong covalent bonding nature Ni–O Mn–O bonds, respectively. absorption peaks in infrared (20.0 eV), visible (2.6 near-ultra-violet (7 eV) regions reflect true PV Furthermore, SCAPS-1D simulation tool used investigate best-optimized transport (ETL)/LNMO/hole (HTL) configurations where PCBM, ZnO, C60, WS2 ETLs, while CuSCN, NiO, P3HT, PEDOT:PSS, CuSCN HTLs. WS2/LNMO/CFTS exhibited best power conversion efficiency (PCE) ∼20.18% among 24 different device combinations. four chosen for performance analysis through variation ETL thicknesses. impact series shunt resistances these structures investigated. For deeper insights, C–V plots, generation recombination rates, J–V curves, quantum plots analyzed investigated configurations.

Language: Английский

Citations

71
A review of activating lattice oxygen of metal oxides for catalytic reactions: Reaction mechanisms, modulation strategies of activity and their practical applications DOI

Heng Du,

Haopeng Luo,

Mingwei Jiang

et al.

Applied Catalysis A General, Journal Year: 2023, Volume and Issue: 664, P. 119348 - 119348

Published: July 23, 2023

Language: Английский

Citations

54
Strategic Design and Insights into Lanthanum and Strontium Perovskite Oxides for Oxygen Reduction and Oxygen Evolution Reactions DOI
Sagar Ingavale, Mohan Gopalakrishnan,

Carolin Mercy Enoch

et al.

Small, Journal Year: 2024, Volume and Issue: 20(19)

Published: Jan. 23, 2024

Abstract Perovskite oxides exhibit bifunctional activity for both oxygen reduction (ORR) and evolution reactions (OER), making them prime candidates energy conversion in applications like fuel cells metal‐air batteries. Their intrinsic catalytic prowess, combined with low‐cost, abundance, diversity, positions as compelling alternatives to noble metal catalysts. This review encapsulates the nuances of perovskite oxide structures synthesis techniques, providing insight into pivotal active sites that underscore their behavior. The focus centers on breakthroughs surrounding lanthanum (La) strontium (Sr)‐based oxides, specifically roles zinc‐air batteries (ZABs). An introduction mechanisms ORR OER is provided. Moreover, light shed strategies determinants central optimizing performance La Sr‐based oxides.

Language: Английский

Citations

33
P‐Incorporation Induced Enhancement of Lattice Oxygen Participation in Double Perovskite Oxides to Boost Water Oxidation DOI
Gaoliang Fu, Leilei Zhang,

Ruixue Wei

et al.

Small, Journal Year: 2024, Volume and Issue: 20(26)

Published: Jan. 21, 2024

Activating the lattice oxygen in catalysts to participate evolution reaction (OER), which can break scaling relation-induced overpotential limitation (> 0.37 V) of adsorbate mechanism, has emerged as a new and highly effective guide accelerate OER. However, how increase participation during OER remains major challenge. Herein, P-incorporation induced enhancement double perovskite LaNi

Language: Английский

Citations

17
Structure–Activity Relationships in Oxygen Electrocatalysis DOI

Jingyi Han,

Jingru Sun,

Siyu Chen

et al.

Advanced Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 30, 2024

Abstract Oxygen electrocatalysis, as the pivotal circle of many green energy technologies, sets off a worldwide research boom in full swing, while its large kinetic obstacles require remarkable catalysts to break through. Here, based on summarizing reaction mechanisms and situ characterizations, structure–activity relationships oxygen electrocatalysts are emphatically overviewed, including influence geometric morphology chemical structures electrocatalytic performances. Subsequently, experimental/theoretical is combined with device applications comprehensively summarize cutting‐edge according various material categories. Finally, future challenges forecasted from perspective catalyst development applications, favoring researchers promote industrialization electrocatalysis at an early date.

Language: Английский

Citations

16