Results 201 to 210 of about 515,767 (328)

Mg2+/Al3+ Co‐doped Li‐Rich Manganese‐Based Oxides for Boosting Rate Performance and Stability of Lithium‐Ion Batteries

Advanced Functional Materials, EarlyView.
The co‐doping strategy can effectively address the challenges associated with LRMOs cathode materials, providing a promising pathway for the development of high energy density and resilient cathode materials in the next‐generation lithium‐ion batteries. Abstract Lithium‐rich manganese‐based oxides (LRMOs) are promising cathode materials for lithium‐ion
Junxia Meng, Wenzhuan Hu, Quanxin Ma, Zhenzhen Wu, Lishuang Xu, Jie Huang, Chen Xiao, Junru Wang, Lina Zhang, Feng Liu, Xing Zhi, Shanqing Zhang   +11 more
wiley   +1 more source

Electronic Correlations in Altermagnet MnTe in Hexagonal Crystal Structure. [PDF]

Materials (Basel)
Chernov ED, Lukoyanov AV.
europepmc   +1 more source

The C-H Bond Dissociation Enthalpies and Estimation of the Kinetics of Hydrogen Abstraction by OH radical for Fluorinated Formates: A DFT Study

, 2001
Shingo Urata, Tadafumi Uchimaru, Asit K. Chandra, Akira Takada, Akira Sekiya   +4 more
openalex   +2 more sources

Real-number DFT codes on a fading channel [PDF]

, 2002
Jiun Shiu, Ja‐Ling Wu
openalex   +1 more source

Superionic Disulfonic Acid Polymers

Advanced Functional Materials, EarlyView.
A strategy is presented to enhance the mechanical and ion transport properties of acid‐functionalized polymers through controlled polymerizations of precisely designed disulfonic acid monomers with well‐defined functional group arrangements. This approach allows for fine control over molecular interactions, and unexpected hydrophobic characteristics ...
Xuelang Gao, Hojun Lee, Woongsik Choi, Yunsoo Shim, Hyung Min Chi, Moon Jeong Park   +5 more
wiley   +1 more source

First-principles calculations of solid-phase enthalpy of formation of energetic materials. [PDF]

Commun Chem
Zhong L, Liu D, Hu M, Yang X, Liu R, Yao Y.   +5 more
europepmc   +1 more source

High Thermoelectric Performance in Low‐Cost Cu8SiSxSe6‐x Argyrodite

Advanced Functional Materials, EarlyView.
This study discovers the great potential of Cu8SiSxSe6‐x argyrodites as new, low‐cost, Te‐free thermoelectric materials. The proposed defect scheme suppresses the phase transition, enhances the weighted mobility and optimizes the grain boundary contacts.
Taras Parashchuk, Oleksandr Cherniushok, Bartlomiej Wiendlocha, Janusz Tobola, Raúl Cardoso‐Gil, G. Jeffrey Snyder, Yuri Grin, Krzysztof T. Wojciechowski   +7 more
wiley   +1 more source

Machine learning for improved density functional theory thermodynamics. [PDF]

Sci Rep
Simak SI, Delczeg-Czirjak EK, Eriksson O.   +2 more
europepmc   +1 more source

DFT Studies of CO Adsorption and Activation on Some Transition Metal Surfaces [PDF]

, 2003
Ling Jiang, Gui‐Chang Wang, Naijia Guan, Yang Wu, Cai Zun-Sheng, Yinming Pan, Xuezhuang Zhao, Huang Wei, Yongwang Li, Yuhan Sun, Zhong Bing   +10 more
openalex   +1 more source

Tuning D‐Band Center of Vanadium in Constructing Lattice‐Matched Coherent Heterostructure for Enhanced Sodium Storage

Advanced Functional Materials, EarlyView.
The coherent heterostructure and the strong stress field at the heterointerface upshift the d‐band center of vanadium toward the Fermi level, which effectively lowers the Na+ diffusion barrier, facilitates charge transfer and accelerates reaction kinetics.
Xuexia Song, Jingjing Wang, Qinting Jiang, Ming Li, Ruixian Duan, Jun Li, Wenbin Li, Wei Xiao, Gaini Zhang, Chong Xie, Xueliang Sun, Xifei Li   +11 more
wiley   +1 more source