Results 181 to 190 of about 52,570 (259)

Decoding Short‐Range Order in Amorphous Two‐Dimensional Nanosheets for Efficient and Durable Ampere‐Level Seawater Electrolysis: A Case Study of Amorphous Ni(OH)2

Advanced Energy Materials, EarlyView.
This work uncovers the atomic‐scale origins of exceptional HER performance in amorphous Ni(OH)2 nanosheets by combining atom probe tomography, DFT simulations, and operando spectroscopy. We identify distinct short‐range‐order motifs that accelerate water dissociation, proton transport, and hydrogen adsorption. Embedding Pt single atoms further enhances
Xin Geng, Xiaolong Lu, Zhi Mei, Zhenyu Wang, Baptiste Gault   +4 more
wiley   +1 more source

Density functional study of barium and strontium boron hydrides for hydrogen storage and optoelectronic applications. [PDF]

Sci Rep
Kumar A, Etabti H, Kumar K, Kumar A.
europepmc   +1 more source

Generalized Thermodynamics in Complex Information Dynamics: Optimization Techniques and Applications to Mammalian Connectomes

Natural and artificial complex systems, composed of numerous interacting components like neurons in the brain or individuals in societies, exhibit intricate structures with varying degrees of complexity. Understanding the principles governing these networks is a fundamental question in physics, as it enables the identification of networks shaped by ...
openaire   +1 more source

Decoding Gas Evolution Pathways and Interfacial Chemistry in Layered Oxide Cathodes for Safer Sodium‐Ion Batteries

Advanced Energy Materials, EarlyView.
Gas evolution behaviors of sodium layered oxide cathodes with varying compositions, cutoff voltages, dopants, and particle sizes/morphologies have been systematically investigated by online electrochemical mass spectrometry. The fundamental outgassing mechanisms of sodium‐based cathodes compared to lithium‐based cathodes have been elucidated.
Chen Liu, Zehao Cui, Arumugam Manthiram
wiley   +1 more source

First-principles investigation of structural, elastic, electronic, thermodynamic, and optical properties of KBi₃ for optoelectronic applications. [PDF]

RSC Adv
Rabbi MM, Khatun MA.
europepmc   +1 more source

Toward a Rational Design of Conjugated Copolymers with Oxygenated Side Chains for Boosting Thermoelectric Properties

Advanced Energy Materials, EarlyView.
The molecular design strategy that integrates both side chain and backbone engineering in diketopyrrolopyrrole‐based conjugated polymers to identify the optimal balance between doping efficiency and microstructural order is demonstrated. Comprehensive spectroscopic, electrochemical, morphological, and structural characterizations reveal that the ...
Taewoong Han, Suhui Sim, Hoimin Kim, Taewoong Yoon, Hyungju Ahn, Seungjoo Chang, Namgyu Park, Hajeong Kim, Shabaz Alam, Dongki Lee, Sungjun Park, Sungjoo Lee, Jaewon Lee, Boseok Kang   +13 more
wiley   +1 more source

The role of oxygen vacancies in the electronic and optical properties of κ-Ga₂O₃. [PDF]

Commun Chem
Feng W, Fang P, Zhang Y, Zhu D, Liang J, Lin Z, Wang X, Pei Y.   +7 more
europepmc   +1 more source

Prediction of Structural Stability of Layered Oxide Cathode Materials: Combination of Machine Learning and Ab Initio Thermodynamics

Advanced Energy Materials, EarlyView.
In this work, we developed a phase‐stability predictor by combining machine learning and ab initio thermodynamics approaches, and identified the key factors determining the favorable phase for a given composition. Specifically, a lower TM ionic potential, higher Na content, and higher mixing entropy favor the O3 phase.
Liang‐Ting Wu, Milica Zdravković, Dijana Milosavljević, Konstantin Köster, Olivier Guillon, Jyh‐Chiang Jiang, Payam Kaghazchi   +6 more
wiley   +1 more source

Mechanisms of curcumin adsorption in metal-substituted MOF-74 frameworks using DFT and MD simulations. [PDF]

Sci Rep
Wang Y, Li M, Duanmu P, Yang H, Yuan H, Li X.   +5 more
europepmc   +1 more source

Beyond Imperfect Match: Silicon/Graphite Hybrid Anodes for High‐Energy–Density Lithium‐Ion Batteries

Advanced Energy Materials, EarlyView.
Silicon/graphite (Si/Gr) hybrid anodes are limited by Si's large volume change and mismatch with Gr. This review offers mechanistic insights into imperfectly matched Si/Gr hybrid anodes, elucidating heterogeneous lithiation behavior and interfacial failure pathways, and thereby informing the design of durable, high‐energy–density lithium‐ion batteries.
Jing Li, Karol Viviana Mejía‐Centeno, Malik Dilshad Khan, Guifang Zeng, Lijie Ci, Andreu Cabot, Qing Sun   +6 more
wiley   +1 more source