Results 31 to 40 of about 2,148,726 (201)

Kohn-Sham Exchange Potential for a Metallic Surface

, 2006
The behavior of the surface barrier that forms at the metal-vacuum interface is important for several fields of surface science. Within the Density Functional Theory framework, this surface barrier has two non-trivial components: exchange and correlation.
C. M. Horowitz, C. R. Proetto, J. Dobson, R. G. Parr, S. Rigamonti, T. Kriebich   +5 more
core   +1 more source

Orbital-dependent effects of electron correlations in microscopic models for iron-based superconductors [PDF]

, 2013
The bad metal behavior in the normal state of the iron-based superconductors suggests an intimate connection between the superconductivity and a proximity to a Mott transition.
Si, Qimiao, Yu, Rong, Zhu, Jian-Xin
core   +1 more source

Unmasking chloride attack on the passive film of metals

Nature Communications, 2018
Collecting experimental evidence of chloride ion attack on protective passive metallic films due to corrosion remains challenging. Here, the authors show that the boundaries between nanocrystals and amorphous regions in the passive film ease chloride ...
B. Zhang, J. Wang, B. Wu, X. W. Guo, Y. J. Wang, D. Chen, Y. C. Zhang, K. Du, E. E. Oguzie, X. L. Ma   +9 more
doaj   +1 more source

Active oxygen species mediate the iron-promoting electrocatalysis of oxygen evolution reaction on metal oxyhydroxides

Nature Communications, 2023
Iron is an extraordinary promoter to impose nickel/cobalt (hydr)oxides as the most active oxygen evolution reaction catalysts, whereas the synergistic effect is actively debated. Here, we unveil that active oxygen species mediate a strong electrochemical
Qu Jiang, Sihong Wang, Chaoran Zhang, Ziyang Sheng, Haoyue Zhang, Ruohan Feng, Yuanman Ni, Xiaoan Tang, Yichuan Gu, Xinhong Zhou, Seunghwa Lee, Di Zhang, Fang Song   +12 more
doaj   +1 more source

Highly stable graphene-oxide-based membranes with superior permeability

Nature Communications, 2018
Graphene oxide membranes show great potential for water filtering, but improving their performance and stability remains difficult. Here, the authors use theanine amino acid and tannic acid to reduce and cross-link graphene oxide membranes with ...
Khalid Hussain Thebo, Xitang Qian, Qing Zhang, Long Chen, Hui-Ming Cheng, Wencai Ren   +5 more
doaj   +1 more source

Computation and data driven discovery of topological phononic materials

Nature Communications, 2021
Topological phononic (TP) materials are attracting wide attentions and it is more difficult to seek TP materials compared to electronic materials.
Jiangxu Li, Jiaxi Liu, Stanley A. Baronett, Mingfeng Liu, Lei Wang, Ronghan Li, Yun Chen, Dianzhong Li, Qiang Zhu, Xing-Qiu Chen   +9 more
doaj   +1 more source

IMP Science Gateway: from the Portal to the Hub of Virtual Experimental Labs in Materials Science

, 2014
"Science gateway" (SG) ideology means a user-friendly intuitive interface between scientists (or scientific communities) and different software components + various distributed computing infrastructures (DCIs) (like grids, clouds, clusters), where ...
Baskova, Olexandra, Bekenev, Lev, Gatsenko, Olexander, Gordienko, Yuri, Stirenko, Sergii, Zasimchuk, Elena   +5 more
core   +1 more source

Unusually high thermal conductivity in suspended monolayer MoSi2N4

Nature Communications
Two-dimensional semiconductors with high thermal conductivity and charge carrier mobility are of great importance for next-generation electronic and optoelectronic devices.
Chengjian He, Chuan Xu, Chen Chen, Jinmeng Tong, Tianya Zhou, Su Sun, Zhibo Liu, Hui-Ming Cheng, Wencai Ren   +8 more
doaj   +1 more source

A multicomponent γ-type (Gd1/6Tb1/6Dy1/6Tm1/6Yb1/6Lu1/6)2Si2O7 disilicate with outstanding thermal stability

Materials Research Letters, 2020
A multicomponent rare-earth disilicate (Gd1/6Tb1/6Dy1/6Tm1/6Yb1/6Lu1/6)2Si2O7 has been designed and successfully synthesized following the strategy of high entropy engineering.
Luchao Sun, Yixiu Luo, Xiaomin Ren, Zenghua Gao, Tiefeng Du, Zhen Wu, Jingyang Wang   +6 more
doaj   +1 more source

Electronic properties and applications of MXenes: a theoretical review

, 2017
Recent chemical exfoliation of layered MAX phase compounds to novel two-dimensional transition metal carbides and nitrides, so called MXenes, has brought new opportunity to materials science and technology.
Arai, Masao, Khazaei, Mohammad, Ranjbar, Ahmad, Sasaki, Taizo, Yunoki, Seiji   +4 more
core   +1 more source