Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Fangjia Fu"'
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-9 (2024)
Abstract The electrochemical reaction in silicon (Si) electrode, accompanying with tremendous volume expansion, causes rapid capacity fade of Li-ion batteries. The Li-ion concentration gradient and structural distribution uniformity influence the inh
Externí odkaz:
https://doaj.org/article/79aec0b8b49a4f6b9edd9ac8fd278195
Publikováno v:
Industrial & Engineering Chemistry Research. 61:14051-14065
Autor:
Fangjia Fu, Xiaoxu Wang, Linfeng Zhang, Jianhui Chen, Bo Xu, Chuying Ouyang, Shenzhen Xu, Fu‐Zhi Dai, Weinan E
Publikováno v:
Advanced Functional Materials.
Publikováno v:
Langmuir : the ACS journal of surfaces and colloids. 38(14)
Here, we perform a series of classical molecular dynamics simulations for two different [HEMIM][DCA] and [BMIM][BF
Publikováno v:
Physical Review B. 105
Publikováno v:
The Journal of Physical Chemistry C. 124:6634-6645
Here we have performed molecular dynamics simulations to investigate the structures, dynamics, and hydrogen bonds (HBs) of the imidazolium-based ionic liquid (IL) mixture containing equimolar 1-eth...
Publikováno v:
Journal of computational chemistryREFERENCES. 43(10)
The generalized energy-based fragmentation (GEBF) approach is extended to facilitate ab initio investigations of structures, lattice energies, vibrational spectra and
Publikováno v:
Chemical Science
Telomerase and poly(ADP-ribose) polymerase-1 (PARP-1) are two potential cancer biomarkers and are closely related to tumor initiation and malignant progression.
Telomerase and poly(ADP-ribose) polymerase-1 (PARP-1) are two potential cancer bioma
Telomerase and poly(ADP-ribose) polymerase-1 (PARP-1) are two potential cancer bioma
Autor:
Haitang Yang, Fangjia Fu, Kang Liao, Z.G. Liu, Daocheng Hong, Wei Wei, Jing Ma, Wei Li, Shuhua Li, Yuxi Tian, Chungen Liu
Publikováno v:
The journal of physical chemistry. B. 125(2)
Fluorescent DNA-binding dyes are extensively employed as probe and biosensing in biological detection and imaging. Experiments and theoretical calculations of thiazole orange homodimeric (TOTO) dye binding to a single-strand DNA (ssDNA), poly(dG)n (n
Autor:
Zhen Yang, Li Li, Zheng Wan, Guixiang Zeng, Deshuai Yang, Na Hu, Xiangshu Chen, Yi Luo, Fangjia Fu
Publikováno v:
Physical Chemistry Chemical Physics. 20:12043-12052
Here we report a series of molecular dynamics simulations for the orientations and rotational dynamics of the 1-butyl-3-methyl-imidazoliumhexafluorophosphate ([BMIM][PF6]) ionic liquid (IL) at the gas-liquid interface. Compared to the bulk phase, the