Orbital Occupancy and Spin Polarization: From Mechanistic Study to Rational Design of Transition Metal-Based Electrocatalysts toward Energy Applications

ACS Nano, Journal Year: 2022, Volume and Issue: 16(11), P. 17847 - 17890

Published: Oct. 31, 2022

Over the past few decades, development of electrocatalysts for energy applications has extensively transitioned from trial-and-error methodologies to more rational and directed designs at atomic levels via either nanogeometric optimization or modulating electronic properties active sites. Regarding modulation properties, nonprecious transition metal-based materials have been attracting large interest due capability versatile tuning d-electron configurations expressed through flexible orbital occupancy various possible degrees spin polarization. Herein, recent advances in tailoring transition-metal atoms intrinsically enhanced electrocatalytic performances are reviewed. We start with discussions on how polarization can govern essential level processes, including transport electron charge bulk, reactive species adsorption catalytic surface, transfer between centers adsorbed as well reaction mechanisms. Subsequently, different techniques currently adopted structures discussed particular emphasis theoretical rationale practical achievements. also highlight promises recently established computational design approaches developing applications. Lastly, discussion is concluded perspectives current challenges future opportunities. hope this review will present beauty structure–activity relationships catalysis sciences contribute advance conversion

Language: Английский

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3D nickel molybdenum oxyselenide (Ni1-xMoxOSe) nanoarchitectures as advanced multifunctional catalyst for Zn-air batteries and water splitting

Applied Catalysis B Environment and Energy, Journal Year: 2021, Volume and Issue: 286, P. 119909 - 119909

Published: Jan. 18, 2021

Language: Английский

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Recent progress in heteroatom doped carbon based electrocatalysts for oxygen reduction reaction in anion exchange membrane fuel cells

International Journal of Hydrogen Energy, Journal Year: 2022, Volume and Issue: 48(9), P. 3593 - 3631

Published: Nov. 16, 2022

Oxygen reduction reaction (ORR) is a key step in many electrochemical devices such as fuel cells and metal-air batteries. However, the proceeds at significant overpotential requiring Pt-based catalysts. The scarcity economical challenges associated with Pt one of major limitations for commercialization devices. In this context, research community constantly exploring other low-cost earth-abundant materials ORR Carbon nanomaterials are identified promising electrocatalysts due to their superb electronic conductivity together high specific surface area. low reactivity carbon limiting factor fabrication Recent studies have proved that chemical modification network (substitution foreign atoms, Ex: N, S, B, F, P) could alter ORR. Many doping strategies been proposed including single atom doping, co-doping multi-atom doping. heteroatom doped carbons delivered results towards alkaline media. This review presents rational approach methods properties carbons, we believe be guiding material design advanced non-noble catalysts coming future.

Language: Английский

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Mass Production of Sulfur‐Tuned Single‐Atom Catalysts for Zn–Air Batteries

Advanced Materials, Journal Year: 2023, Volume and Issue: unknown, P. 2209948 - 2209948

Published: Jan. 18, 2023

Single-atom catalysts (SACs) show great potential for rechargeable Zn-air batteries (ZABs); however, scalable production of SACs from sustainable resources is difficult owing to poor control the local coordination environment. Herein, lignosulfonate, a by-product papermaking industry, utilized as multifunctional bioligand mass with highly active MN4 S sites (M represents Fe, Cu, and Co) via strong metalnitrogen/sulfur coordination. This effectively adjusts charge distribution promotes catalytic performance, leading durable excellent performance in oxygen reduction evolution reactions ZABs. study paves way industrial cost-effective manner.

Language: Английский

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Surface engineering for stable electrocatalysis

Chemical Society Reviews, Journal Year: 2024, Volume and Issue: 53(5), P. 2693 - 2737

Published: Jan. 1, 2024

Unprecedented insights into electrochemical surface dynamics from operando studies inspire electronic and topographical strategies, paving the way for sustained electrocatalytic performance across HER, OER, ORR, CO 2 RR applications.

Language: Английский

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