Results 251 to 260 of about 655,640 (396)

Error Correction for Phase Detection by Recursive Algorithm Real Time DFT

, 2001
Tsuyoshi Funaki, Kenji Matsuura, S. Tanaka   +2 more
openalex   +2 more sources

Generalising the simultaneous computation of the DFTs of two real sequences using a single N-point DFT [PDF]

, 2002
Vítor Silva, Fernando Perdigão
openalex   +1 more source

Unlocking Ultra‐Long Cycle Stability of Li Metal Electrode by Separators Modified by Porous Red Phosphorus Nanosheets

Advanced Functional Materials, EarlyView.
Coating the standard polypropylene separator with a porous red phosphorous nanosheet greatly improves cycling performance in Li electrode cells. The phosphorus‐based surface chemistry deactivates electrolyte solvent decomposition and enhances the cleavage of F‐containing salt, resulting in an inorganic‐dominated electrolyte interphase (SEI) composition
Jiangpeng Wang, Mingzi Sun, Feng Lang, Zhijun Cai, Xitao Hu, Yao Gao, Chao Lin, Xueqiang Zhang, Bolong Huang, Quan Li   +9 more
wiley   +1 more source

Development of an atomic cluster expansion potential for iron and its oxides. [PDF]

NPJ Comput Mater
Bienvenu B, Todorova M, Neugebauer J, Raabe D, Mrovec M, Lysogorskiy Y, Drautz R.   +6 more
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

Single Atom‐Particle Tandem Catalysis Enables Enhanced Desolvation Kinetics for Low‐Temperature Li‐S Batteries

Advanced Functional Materials, EarlyView.
In this work, the tandem catalyst consisted of single Fe atom and Fe3C nanoparticles on porous carbon sheet is initially proposed and developed to facilitate the dissociation of Li(solvent)x+ to release more isolated Li+ to participate in the subsequent polysulfide redox conversions by decreasing the related barriers, contributing to fast kinetics of ...
Yuhang Lin, Jian Wang, Xin Zhang, Xiaomin Cheng, Quan Zhuang, Jing Zhang, Qinghua Guan, Yanli Wang, Chunyin Shen, Hongzhen Lin, Liang Zhan, Licheng Ling, Yongzheng Zhang   +12 more
wiley   +1 more source

The structural behavior of physisorbed metallenes. [PDF]

Nanoscale Adv
Koskinen P, Abidi KR.
europepmc   +1 more source

Low‐Surface‐Energy Copper Promotes Atomic Diffusion and Ordering in PtFeCu Intermetallic Compounds for Oxygen Reduction Catalysis

Advanced Functional Materials, EarlyView.
A copper‐induced atom ordering strategy is developed for the reconstruction of raw commercial Pt catalyst into ordered PtFeCu intermetallic compounds for hydrogen fuel cells. Abstract Carbon‐supported platinum intermetallic compound nanoparticles are seen as the next‐generation cathodic catalysts for hydrogen fuel cells due to their high activity and ...
Yan Nie, Shuhao Wang, Quentin Meyer, Hongyu Guo, Chen Jia, Dazhi Yao, Yingjun Sun, Jun Chen, Shaojun Guo, Chuan Zhao   +9 more
wiley   +1 more source

High impedance faults detection in power distribution networks using rogowski coils, kalman filtering, least-squares and non-recursive DFT computation engines. [PDF]

PLoS One
Ali ZM, Mostafa MH, Abdel Aleem SHE, Esmail EM.   +3 more
europepmc   +1 more source