Bing Xiao, Ph.D.
Affiliations: | Physics | Temple University, Philadelphia, PA, United States |
Area:
density-functional theory of electronic structureGoogle:
"Bing Xiao"Mean distance: 13.89 | S | N | B | C | P |
Parents
Sign in to add mentor| John P. Perdew | grad student | 2014 | Temple University | |
| (Phase transitions, magnetism and surface adsorptions assessed by meta-GGA functionals and random phase approximation.) | ||||
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Publications
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| Liu H, Bai X, Ning J, et al. (2024) Assessing r2SCAN meta-GGA functional for structural parameters, cohesive energy, mechanical modulus, and thermophysical properties of 3d, 4d, and 5d transition metals. The Journal of Chemical Physics. 160 |
| Zhang Y, Furness JW, Xiao B, et al. (2021) Erratum: "Subtlety of TiO phase stability: Reliability of the density functional theory predictions and persistence of the self-interaction error" [J. Chem. Phys. 150, 014105 (2019)]. The Journal of Chemical Physics. 154: 049902 |
| Chen L, Li Y, Xiao B, et al. (2021) Chemical bonding, thermodynamic stability and mechanical strength of Ni3Ti/α-Al2O3 interfaces by first-principles study Scripta Materialia. 190: 57-62 |
| Bai X, Li Y, Xiao B, et al. (2020) Structural, mechanical, electronic properties of refractory Hf–Al intermetallics from SCAN meta-GGA density functional calculations Materials Chemistry and Physics. 254: 123423 |
| Jing Z, Wang H, Feng X, et al. (2019) Superior Thermoelectric Performance of Ordered Double Transition Metal MXenes: CrTiCT (T = -OH or -F). The Journal of Physical Chemistry Letters |
| Zhang Y, Furness JW, Xiao B, et al. (2019) Subtlety of TiO phase stability: Reliability of the density functional theory predictions and persistence of the self-interaction error. The Journal of Chemical Physics. 150: 014105 |
| Chen L, Li Y, Xiao B, et al. (2019) First-principles calculation on the adhesion strength, fracture mechanism, interfacial bonding of the NiTi (111)//α-Al2O3 (0001) interfaces Materials & Design. 183: 108119 |
| Ding Y, Xiao B, Tang G, et al. (2017) Transport Properties and High Thermopower of SnSe2: A Full Ab-Initio Investigation Journal of Physical Chemistry C. 121: 236 |
| Li YF, Xiao B, Sun L, et al. (2017) A theoretical study of dielectric tensor, Born effective charges, LO-TO splitting and infrared response of Al4SiC4 and Al4Si2C5 Journal of Alloys and Compounds. 692: 713-719 |
| Zahedi E, Xiao B, Shayestefar M. (2016) First-Principles Investigations of the Structure, Electronic, and Optical Properties of Mullite-Type Orthorhombic Bi2M4O9 (M = Al(3+), Ga(3+)). Inorganic Chemistry |