Structure search of two-dimensional systems using CALYPSO methodology
The dimensionality of structures allows materials to be classified into zero-, one-, two-, and
three-dimensional systems. Two-dimensional (2D) systems have attracted a great deal of …
three-dimensional systems. Two-dimensional (2D) systems have attracted a great deal of …
Theoretical dissection of superconductivity in two-dimensional honeycomb borophene oxide B2O crystal with a high stability
Atomically thin borophene has recently been synthesized experimentally, significantly
enriching the boron chemistry and broadening the family of two-dimensional (2D) materials …
enriching the boron chemistry and broadening the family of two-dimensional (2D) materials …
Superconductivity in predicted two dimensional XB 6 (X= Ga, In)
Recently, two-dimensional (2D) rect-AlB6 [B. Song, Y. Zhou, H.-M. Yang, J.-H. Liao, L.-M.
Yang, X.-B. Yang and E. Ganz, J. Am. Chem. Soc., 2019, 141, 3630–3640] has been …
Yang, X.-B. Yang and E. Ganz, J. Am. Chem. Soc., 2019, 141, 3630–3640] has been …
Boron kagome-layer induced intrinsic superconductivity in a monolayer with a high critical temperature
The design of two-dimensional superconductors has attracted great research interest owing
to their wide application in nanoscale devices. Here, we combine first-principles calculations …
to their wide application in nanoscale devices. Here, we combine first-principles calculations …
High-temperature phonon-mediated superconductivity in monolayer Mg2B4C2
A two-dimensional material–Mg2B4C2, belonging to the family of the conventional
superconductor MgB2, is theoretically predicted to exhibit superconductivity with critical …
superconductor MgB2, is theoretically predicted to exhibit superconductivity with critical …
A two-dimensional Be 2 Au monolayer with planar hexacoordinate s-block metal atoms: a superconducting global minimum Dirac material with two perfect Dirac node …
M Wang, Z Cui, S Wang, Q Li, J Zhao, Z Chen - Chemical Science, 2022 - pubs.rsc.org
Using a starlike Be6Au7− cluster as a building block and following the bottom-up strategy,
an intriguing two-dimensional (2D) binary s-block metal Be2Au monolayer with a P6/mmm …
an intriguing two-dimensional (2D) binary s-block metal Be2Au monolayer with a P6/mmm …
[HTML][HTML] Effect of Nb-X ionic bonding on the superconductivity of the two-dimensional Nb2SXC (X= O, S, Se, F, Cl, and Br)
The 2D Janus structure, an important derivative of 2D materials, exhibits distinct properties
and significant potential in nanodevices. In this study, we focused on the recently …
and significant potential in nanodevices. In this study, we focused on the recently …
Two-dimensional Be 2 Al and Be 2 Ga monolayer: anti-van't Hoff/Le Bel planar hexacoordinate bonding and superconductivity
H Li, M Wang, Q Li, Z Cui - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Because of the electron deficiency of boron, a triangular network with planar
hexacoordination is the most common structural and bonding property for isolated boron …
hexacoordination is the most common structural and bonding property for isolated boron …
Strain dependences of electronic properties, band alignments and thermal properties of bilayer WX2 (X = Se, Te)
Y Luo, JQ Lan, T Zhang, CE Hu, XR Chen… - Philosophical …, 2022 - Taylor & Francis
We presented a comprehensive study of electronic properties and phonon thermal transport
properties in layered WX2 (X= Se, Te) using first-principles calculations combined with …
properties in layered WX2 (X= Se, Te) using first-principles calculations combined with …
Nonsymmorphic nodal-line metals in the two-dimensional rare earth monochalcogenides MX (M= Sc, Y; X= S, Se, Te)
We predict a new family of two-dimensional (2D) rare earth monochalcogenide materials MX
(M= Sc, Y; X= S, Se, Te). Based on first-principles calculations, we confirm their stability and …
(M= Sc, Y; X= S, Se, Te). Based on first-principles calculations, we confirm their stability and …