Zobrazeno 1 - 10
of 51
pro vyhledávání: '"Zhen-Long Lv"'
Publikováno v:
Results in Physics, Vol 58, Iss , Pp 107528- (2024)
Hydrogen peroxide is one of the most important commercially used oxidant and exists widely in the environment. It crystallizes in a tetragonal phase via hydrogen bond at around −0.89 °C. However, many of its fundamental properties are still not we
Externí odkaz:
https://doaj.org/article/c3041eb12e3348d7b1d1fe15e2fbe9ce
Autor:
Zhi-qiang Sun, Liben Li, Xiaofei Wang, Haisheng Li, Zhen-Long Lv, Shuai Zhang, Zhao-ye Gong, Yan-wen Ding
Publikováno v:
Chinese Journal of Chemical Physics. 34:639-648
Owing to the unique structural, electronic, and physico-chemical properties, molybdenum clusters are expected to play an important role in future nanotechnologies. However, their ground states are still under debate. In this study, the crystal struct
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(38)
Carbon has many allotropes possessing unique properties. In this work, we predicted an orthogonal carbon crystal, named ort-C24, with dynamic, mechanical and thermodynamic stability. Studies indicate that it is a topological semimetal having both nod
Publikováno v:
Physical Chemistry Chemical Physics. 22:20107-20113
Although a number of interesting physical properties such as a negative Poisson's ratio (NPR) and Dirac semimetal (DS) properties have been recently predicted in two-dimensional (2D) materials, the realization of a 2D material that exhibits both of t
Publikováno v:
Zeitschrift für Naturforschung A. 75:73-80
Layered crystal Bi2O2Te has recently been found to have high electron mobility and excellent thermoelectric properties for technical applications; however, its other properties are not well studied yet. In this work, the electronic, elastic and optic
Publikováno v:
Journal of Solid State Chemistry. 276:272-277
KBaBi is predicted to be a topological insulator recently, but most fundamental properties of it have not been studied. In this work, first-principles calculations were carried out to study its electronic, bonding, elastic, vibrational and dielectric
Autor:
Han Han, Tongwei Li, Liu Huihui, Zhen-Long Lv, Ze-Yu Zhang, Weiwei Ju, Hui Wang, Haisheng Li, Xiaowu Cai, Zi-Han Liu
Publikováno v:
npj Computational Materials, Vol 5, Iss 1, Pp 1-9 (2019)
Metal-free organic perovskite ferroelectric materials have been shown recently to have a number of attractive properties, including high spontaneous polarization and piezoelectric coefficients. In particular, slow evaporation of solutions containing
Publikováno v:
Acta Physica Polonica A. 134:1163-1169
Publikováno v:
Journal of Physics and Chemistry of Solids. 116:353-359
KCdCO3F is a newly synthesized promising ultraviolet nonlinear optical crystal, but its structure is disputed and its fundamental properties have not been well studied. Here our first-principles study indicates that the structure with the space group
Publikováno v:
Diamond and Related Materials. 82:50-55
Carbon is a versatile element having many allotropes with unique properties in the periodic table. In this work, we predicted a tetragonal carbon allotrope formed by five-membered carbon cages. We studied its electronic, vibrational, dielectric, elas