Results 121 to 130 of about 119,992 (349)

Hierarchical Embedded Sphere Model: An Interpretable ML‐Guided Multiscale Descriptor Engineering Decodes OER Activity on TM@MO2 Catalysts

Advanced Science, EarlyView.
Hierarchical Embedded Sphere Model combines DFT and interpretable machine learning to decode catalytic activity on TM‐doped MO2. It disentangles global electronic, active‐site, and local coordination effects, revealing two activation mechanisms: dopant‐driven (Rh@MO2) and coordination‐mediated (Fe@ZrO2).
Ziyuan Li, Shan Gao, Yunhan Wang, Yueyu Zhang, Weichao Wang, Xiangmei Duan   +5 more
wiley   +1 more source

Metal‐Organic Framework‐Based Supercapacitors: A Comprehensive Review

Advanced Science, EarlyView.
Overview of Metal‐Organic Frameworks (MOFs) derived electrode materials for supercapacitors. Illustration of redox reactions, conductivity enhancement, and structural stability during charge‐discharge cycling. Emphasis on synergistic effects due to surface area, porosity leading to improved electrochemical performance and energy storage efficiency ...
Swapnajit V. Mulik, Mrunal M. Patil, Sonali P. Sadavar, Sagar D. Delekar, Rajendra K. Bordia, Dillip K. Panda   +5 more
wiley   +1 more source

Interfacially Coupled and Synergistic Effect of Ag/Co3O4‐C Nanocomposites for Enhanced Oxygen Reduction (ORR) and Evolution (OER) Reaction

Advanced Science, EarlyView.
Ag/Co3O4–C nanocomposites display well‐resolved lattice fringes and synergistic Ag/Co3O4 heterointerfaces that enhance charge transfer and active‐site exposure. The structural design enables superior bifunctional ORR/OER performance in alkaline media by promoting efficient adsorption and turnover of oxygen intermediates within an optimized ...
Adnan Qaseem, Fuyi Chen, Arslan Shabbir, Mohsin Saleem, Jung Hyuk Koh, Muhammad Zubair Khan, Imran Shakir, Muhammad Talha Masood, Kanagat Kishibayev   +8 more
wiley   +1 more source

First principles electronic structure of spinel LiCr2O4: A possible half-metal?

, 2004
We have employed first-principles electronic structure calculations to examine the hypothetical (but plausible) oxide spinel, LiCr2O4 with the d^{2.5} electronic configuration.
A. Fujimori, A.W. Sleight, B. Kohler, C. Felser, D. Guyomard, D.C. Johnston, D.J. Singh, D.J. Singh, E.J.W. Verweij, F. Boucher, F.D. Murnaghan, G.K.H. Madsen, H. C. Kandpal, I. Mazin, J. Matsuno, J. Rodrí guez-Carvajal, J. Zaanen, J.K. Burdett, J.M.D. Coey, J.P. Perdew, J.P. Perdew, J.P. Perdew, K. Ramesha, K.P. Kämper, L. Pauling, L.L. Chase, M. Reehuis, M.A. Korotin, M.A.K. Dissanayake, Markus Lauer, O. Jepsen, O.K. Andersen, P. Blaha, P.E. Blöchl, P.I. Sorantin, P.W. Anderson, R. Basu, R. Basu, R. Dronskowski, R.J. Gummow, R.J. Soulen, Jr., Ram Seshadri, Roser Valenti, S. Kondo, S. Satpathy, S.K. Mishra, S.P. Lewis, T. Arima, U. von Barth, V. Eyert, V.I. Anisimov, W.E. Pickett, Y. Ueda   +52 more
core   +1 more source

A Novel Co3O4@Co3(HITP)2‐Based Sensor for Low‐Temperatures H2S Detection: Fabrication, Performance, and Preliminary Exploration in Monitoring Pork Spoilage

Advanced Science, EarlyView.
Hybrid Co3O4@Co3(HITP)2‐based chemiresitor was constructed for hydrogen sulfide detection at low‐temperature, which presented excellent sensing performance at room and refrigerant temperature. A proof of concept was conducted by monitoring hydrogen sulfide released from pork spoilage at both temperature using a portable device with a smartphone ...
Yongjiao Sun, Rongrong He, Wuchao Tian, Bingliang Wang, Zhenting Zhao, Zihan Wei, Koichi Suematsu, Wendong Zhang, Kengo Shimanoe, Jie Hu   +9 more
wiley   +1 more source

Heterostructure‐Engineered Conductive MOFs Coupled with MoSe2@MXene Framework for Efficient and Selective Lithium Extraction from Salt Lake Brine via Capacitive Deionization

Advanced Science, EarlyView.
This schematic illustrates a capacitive deionization (CDI) system for the selective extraction of lithium from salt‐lake brine. The system employs a cathode fabricated from the Fe‐THBQ@MoSe2@MXene composite alongside an activated carbon (AC) anode. Upon applied voltage, the cathode demonstrates high efficiency in capturing Li+ ions while effectively ...
Pengze Li, Xiaodan Chong, Yutong Guo, Guangrun Wu, Shanshan Wang, Ruixue Liu, Jiamiao Ma, Yu Wang, Wenqiang Chen, Yanmeng Cai, Yaoyao Wang, Qing Yuan, Jinsheng Zhao   +12 more
wiley   +1 more source

Non‐Equilibrium Synthesis Methods to Create Metastable and High‐Entropy Nanomaterials

Advanced Science, EarlyView.
ABSTRACT Stabilizing multiple elements within a single phase enables the creation of advanced materials with exceptional properties arising from their complex composition. However, under equilibrium conditions, the Hume–Rothery rules impose strict limitations on solid‐state miscibility, restricting combinations of elements with mismatched crystal ...
Shuo Liu, Chaochao Dun, Jeffrey J. Urban, Mark T. Swihart   +3 more
wiley   +1 more source

Outstanding 1200 °C Oxidation Resistance in a Novel Multi‐Principal Element Alloy via Lattice Distortion‐Induced Diffusion Suppression

Advanced Science, EarlyView.
The unique lamellar structure of the eutectic alloy promotes selective oxidation of Al initially, while lattice distortion‐induced diffusion suppression slows oxide growth during steady state. Combining these strategies, a Multi‐Principal Element Alloy with excellent oxidation resistance at 1200℃ was designed.
Xinyu Zhang, Weiyan Lv, Xinguang Wang, Chuanmin Jia, Yizhou Zhou, Keqiang Qiu, Jianqiang Wang   +6 more
wiley   +1 more source

Magnetically retrievable nickel hydroxide functionalised AFe2O4 (A = Mn, Ni) spinel nanocatalyst for alcohol oxidation [PDF]

, 2015
Pooja B. Bhat, Badekai Ramachandra Bhat
openalex   +1 more source

Electrochemical Nitrate Reduction Reaction to Ammonia at Industrial‐Level Current Densities

Advanced Science, EarlyView.
This review starts from the mechanism and theoretical basis of electrochemical nitrate reduction reaction (NO3−RR), and systematically summarizes and discusses the design strategies of industrial‐level current density catalysts. In addition, the progress of industrial‐level NO3−RR‐based electrolyzers, including flow reactor and membrane electrode ...
Zhijie Cui, Honghai Wang, Chunli Li, Wenchao Peng, Jiapeng Liu   +4 more
wiley   +1 more source