Results 121 to 130 of about 31,784 (298)

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Single‐Atom Intercalation‐Driven Topological Ferroelectric Metal for High‐Performance Hydrogen Evolution Reaction

Advanced Science, EarlyView.
Single‐atom Cu intercalation enables porous AB3 monolayers to integrate ferroelectricity, metallicity, topology, and hydrogen evolution catalysis in one platform. Switchable FE polarization modulates work function and hydrogen adsorption thermodynamics, providing an electrically controllable route to activate basal‐plane HER activity in topological ...
Rongxuan Lu, Jian Zhang, Jialin Gong, Wenxian Li, Gang Zhang   +4 more
wiley   +1 more source

Near‐Unity Selectivity Inversion Between CO2 Electroreduction and H2 Evolution via Atomic Coordination Editing

Advanced Science, EarlyView.
Atomic coordination editing functions as an on/off switch that toggles single‐atom catalysts between CO2 electroreduction and hydrogen evolution. ABSTRACT Precise atomic coordination editing of single‐atom catalysts (SACs) provides an effective strategy to tune their electronic structures and catalytic selectivity. Yet, achieving near‐unity selectivity
Yukun Zhao, Yuanyuan He, Mengyu Duan, Peng Yin, Jinxing Chen, Xu Han, Jie Yang, Yulin Wang, Xingjie Fu, Shibo Xi, Chuncheng Chen, Jiong Lu   +11 more
wiley   +1 more source

Multiferroic‐Centric Materials and Systems Engineering for Battery Applications: An Insight Into Mechanisms, Strategies, and Characterizations

Advanced Science, EarlyView.
Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su, Yanda Zhu, Hao Peng, Manman Li, Xuzihan Zhang, Meixiao Wu, Siyuan Zhang, Yuhan Zeng, Jiwen Liao, Ming Luo, Hetaishan Huang, Yutong Wang, Sean Li, Wenxian Li   +13 more
wiley   +1 more source

Interfacial synergetic integration of graphitic carbon nitride-polypyrrole anchored on carbon nanorod for efficient water electrolysis

Discover Electrochemistry
Hydrogen generation from electrolysis of water is one of the most sustainable strategies for clean energy conversion. However, the sluggish kinetics of oxygen and hydrogen evolution limit its practical implementation.
Anup Kumar Pradhan, Amrutha Radhakrishnan, Anirban Biswas, Sankar Ganesh Palani, Chanchal Chakraborty   +4 more
doaj   +1 more source

Study on the Reaction Mechanism of RuOx and Its Enhanced Hydrogen Evolution Reaction Activity

Advanced Science, EarlyView.
In situ Raman spectroscopy and DFT calculations reveal that, prior to the onset of HER, the surface of RuOx undergoes reversible reduction and structural reconstruction. The resulting Ru(II)O/Ru(IV)O2 configuration is identified as the true catalytically active species.
Liquan Zhang, Haobo Dong, Jianrui Feng, Longxiang Liu, Fei Guo, Liqun Kang, Guoliang Chai, Mohamed A. Ghanem, Xinde Chen, Ivan P. Parkin   +9 more
wiley   +1 more source

Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction

Advanced Science, EarlyView.
Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen, Bapan Biswas, Apinya Ngoipala, Julia Wiktor, Ujjwal Pal, Shalini Singh   +5 more
wiley   +1 more source

Alternative Electrocatalyst Support Materials for Polymer Electrolyte Fuel Cells

, 2010
Durability of electrocatalysts under severe operational conditions of polymer electrolyte fuel cells (PEFCs) is one of the most important technological issues to be improved. Alternative electrocatalyst support materials are desired, the use of which may
Zhiyun Noda, Shingo Hayashi, Yusuke Shiratori, Fumiaki Takasaki, Kazunari Sasaki, Kohei Ito   +5 more
core   +1 more source

Selective Catalytic Production of Urea: Unravelling the Pairwise Competition on p‐d Alloy Catalysts

Advanced Science, EarlyView.
Unraveling the complicated competition in urea electrosynthesis, this work investigates asymmetric p‐d alloys. We establish two stage‐specific descriptors, Anchoring Affinity and Coupling Propensity, to elegantly quantify thermodynamic bottlenecks.
Qingchao Fang, Yun Han, Md Tarikal Nasir, Fuyong Qin, Wanhu Tian, Hanqing Yin, Aijun Du   +6 more
wiley   +1 more source

Novel Titanium Carbide (Ti3C2Tx) MXene electrocatalyst for HER application

NUST Journal of Engineering Sciences
Water electrolysis is a promising method for producing green hydrogen (H2), and two-dimensional (2D) materials are gaining more attention globally, especially in the field of energy conversion/storage devices, because of their special attributes.
Muhammad Yameen Solangi, Abdul Hanan, Umair Aftab, Imtiaz Ali Soomro, Zafar Hussain Ibupoto   +4 more
doaj   +1 more source