Results 81 to 90 of about 4,210,866 (206)

Green preparation of iron-containing coatings with methionine hydroxyl analog chelated iron on Ti–6Al–4V alloy

Journal of Materials Research and Technology
It is important to fabricate Fe–containing coating on medical titanium alloys by using environmentally friendly solutions. In this study, methionine hydroxyl analog chelated iron (Fe–MHA), one kind of widely used feed supplement, was firstly selected as ...
Xueyu Wang, Xinying Lai, Dizhu Yue, Shufang Zhang, Rongfang Zhao, Rongfa Zhang   +5 more
doaj   +1 more source

Energy density in density functional theory: Application to crystalline defects and surfaces

, 2010
We propose a method to decompose the total energy of a supercell containing defects into contributions of individual atoms, using the energy density formalism within density functional theory.
Martin, Richard M., Trinkle, Dallas R., Yu, Min   +2 more
core   +1 more source

Surface Porousization of Hard Carbon Anode Materials for Sodium-Ion Batteries

Micromachines
Sodium-ion batteries (SIBs) have been considered as a promising alternative to lithium-ion batteries (LIBs) for large-scale energy storage. However, the commercial graphite anode is not suitable for SIBs due to its low Na+ ion storage capability ...
Qianhui Huang, Shunzhang You, Chenghao Yang   +2 more
doaj   +1 more source

Thermal desorption of ammonia from crystalline forsterite surfaces

, 2015
The thermal desorption of ammonia (NH$_3$) from single crystal forsterite (010) has been investigated using temperature-programmed desorption. The effect of defects on the desorption process has been probed by the use of a rough cut forsterite surface ...
Suhasaria, T., Thrower, J. D., Zacharias, H.   +2 more
core   +1 more source

A Review of Carbon-Based Materials for Safe Lithium Metal Anodes

Frontiers in Chemistry, 2019
Lithium metal is a promising anode material with extremely high theoretical specific capacity (3,860 mA h g−1), low density (0.59 g cm−3), and the lowest negative electrochemical potential of all potential candidates (−3.04 V vs.
Yan Liu, Yan Liu, Xifei Li, Xifei Li, Xifei Li, Linlin Fan, Linlin Fan, Shufeng Li, Hirbod Maleki Kheimeh Sari, Hirbod Maleki Kheimeh Sari, Jian Qin, Jian Qin   +11 more
doaj   +1 more source

Van der Waals energy surface of carbon nanotubes sheet

, 2011
The van der Walls interaction between a carbon nanotubes sheet (CNTS) and a rare gas atom, is studied using both atomistic and continuum approaches. We present analytical expressions for the van der Waals energy of continuous nanotubes interacting with a
Motahari, S., Neek-Amal, M., Shayeganfar, F.   +2 more
core   +1 more source

Multi-inch single-crystalline perovskite membrane for high-detectivity flexible photosensors

Nature Communications, 2018
Hybrid halide perovskite single crystals show excellent optoelectronic properties but their small size and large thickness limit their application. Herein Liu et al.
Yucheng Liu, Yunxia Zhang, Zhou Yang, Haochen Ye, Jiangshan Feng, Zhuo Xu, Xu Zhang, Rahim Munir, Jia Liu, Ping Zuo, Qingxian Li, Mingxin Hu, Lina Meng, Kang Wang, Detlef-M. Smilgies, Guangtao Zhao, Hua Xu, Zupei Yang, Aram Amassian, Jiawei Li, Kui Zhao, Shengzhong(Frank) Liu   +21 more
doaj   +1 more source

NRG calculations of the ground-state energy: application to the correlation effects in the adsorption of magnetic impurities on metal surfaces

, 2009
The ground-state energy of a quantum impurity model can be calculated using the numerical renormalization group with a modified discretization scheme, with sufficient accuracy to reliably extract physical information about the system.
Zitko, Rok
core   +1 more source

Spontaneous graphitization of ultrathin cubic structures: A computational study

, 2014
Results based on {\em ab initio} density functional calculations indicate a general graphitization tendency in ultrathin slabs of cubic diamond, boron nitride, and many other cubic structures including rocksalt.
Kvashnin, Alexander G., Sorokin, Pavel B., Tománek, David, Zhu, Zhen   +3 more
core   +1 more source

Synergistic versatile bistriflimide salts in light-accelerated spiro-OMeTAD oxidation and perovskite module photovoltaics engineering

Nature Communications
2,2’,7,7-tetrakis(N,N-di(4-methoxyphenylamine)−9,9′-spirobifluorene (spiro-OMeTAD) remains as the most widely used  material for the hole transport layer (HTL) in efficient n-i-p perovskite photovoltaic devices.
Jiahao Zhang, Xiaomin Liu, Haifei Wang, Penghui Ji, Shuai Yuan, Hengyuan Wang, Ting Guo, Silvia Mariotti, Ilhem Nadia Rabehi, Xiaomin Huo, Tianhao Wu, Congyang Zhang, Chenfeng Ding, Liliia Moshniaha, Kirill Mitrofanov, Dominik Madea, Ryota Kabe, Dandan Song, Zheng Xu, Zhuangzhi Wu, Yun Li, Yixin Zhao, Tongle Bu, Guoqing Tong, Luis K. Ono, Yabing Qi   +25 more
doaj   +1 more source