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Bao-Tian Wang

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Recent Articles
11.
Ruan X, Xiong R, Cui Z, Wen C, Ma J, Wang B, et al.
Materials (Basel) . 2022 Jun; 15(11). PMID: 35683314
Strain engineering has attracted extensive attention as a valid method to tune the physical and chemical properties of two-dimensional (2D) materials. Here, based on first-principles calculations and by solving the...
12.
Xie Q, Liu P, Ma J, Kuang F, Zhang K, Wang B
Materials (Basel) . 2022 May; 15(9). PMID: 35591480
Using density functional theory and semiclassical Boltzmann transport equation, the lattice thermal conductivity and electronic transport performance of monolayer SnI were systematically investigated. The results show that its room temperature...
13.
Yan L, Ku R, Zou J, Zhou L, Zhao J, Jiang X, et al.
RSC Adv . 2022 May; 11(63):40220-40227. PMID: 35494119
Borophenes and related two-dimensional materials have exhibited many exotic properties, especially for superconductivity, although the superconductivity of single-layer borophene is suppressed by the strains or doping from its substrates. Intriguingly,...
14.
Tu X, Bo T, Liu P, Yin W, Hao N, Wang B
Phys Chem Chem Phys . 2022 Mar; 24(13):7893-7900. PMID: 35302567
Based on first-principles calculations, we predict five global stable molybdenum phosphorus compounds in the pressure range of 0-300 GPa. All of them display superconductivity with different transition temperatures. Meanwhile, we...
15.
Xie Q, Ma J, Liu Q, Liu P, Zhang P, Zhang K, et al.
Phys Chem Chem Phys . 2022 Mar; 24(12):7303-7310. PMID: 35262117
Combining density functional theory (DFT) and semi-classic Boltzmann transport theory, we report the thermoelectric (TE) performance of a family of two-dimensional (2D) group IB-selenides XSe (X = Cu, Ag, Au)....
16.
Yan L, Wang B, Huang X, Li Q, Xue K, Zhang J, et al.
Nanoscale . 2021 Nov; 13(45):18947-18954. PMID: 34755746
Two-dimensional (2D) transition metal di-nitrides (TMN) have been arousing great interest for their unique mechanic, electronic, optoelectronic, and magnetic properties. The recent successful growth of monolayer MSiN (M = Mo...
17.
Li X, Chen H, Liu P, Xu J, Wang B, Yin W
J Phys Condens Matter . 2021 Jun; 33(36). PMID: 34167105
The perovskite structure of manganate yields a series of intriguing physical properties. Based on the results of first-principles calculations, strontium manganate appears to undergo a magnetic phase transition and a...
18.
Wei Q, Zhu X, Liu P, Wu Y, Ma J, Liu Y, et al.
Phys Chem Chem Phys . 2021 Mar; 23(11):6388-6396. PMID: 33704316
Through first-principles calculations, we report the thermoelectric properties of two-dimensional (2D) hexagonal group-IV tellurides XTe (X = Ge, Sn and Pb), with quadruple layers (QL) in the Te-X-X-Te stacking sequence,...
19.
Yan L, Bo T, Wang B, Tretiak S, Zhou L
J Phys Chem Lett . 2020 Dec; 12(1):494-500. PMID: 33373241
Using the first-principles calculations, we report the existence of the single-layer (SL) dititanium oxide TiO (labeled as MOene) that constructs a novel family of MXene based on transition-metal oxides. This...
20.
Ma B, Wu Y, Guo Y, Yin W, Zhan Q, Yang H, et al.
Materials (Basel) . 2020 Nov; 13(21). PMID: 33143105
The hydrogen blistering phenomenon is one of the key issues for the target station of the accelerator-based neutron source. In the present study, the effect of monovacancies and divacancies defects...