activity
20142021
most citedDensity-functional calculations of multivalency-driven formation of Te-based monolayer materials with superior electronic and optical properties

566 citations · 1.1k across the 17 of their papers we have counts for

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Showing 2020Show all

3 papers · 1 filter

cond-mat.mtrl-sci2020★ 59 cited

Ferromagnetic Weyl Fermions in Two-Dimensional Layered Electride GdC

Shuyuan Liu, Chongze Wang, Liangliang Liu +5

Recently, two-dimensional layered electrides have emerged as a new class of materials which possess anionic electron layers in the interstitial spaces between cationic layers. Here…

cond-mat.mtrl-sci2020

Dependency of Sliding Friction for Two Dimensional Systems on Electronegativity

Jianjun Wang, Avinash Tiwari, Yang Huang +2

We study the role of electronegativity in sliding friction for five different two dimensional (2D) monolayer systems using density functional theory (DFT) with van der Waals (vdW)…

cond-mat.mtrl-sci2020★ 8 cited

Novel Porous Aluminum Nitride Monolayer Structures A First-principles Study

Yanwei Luo, Jiahui Hu, Yu Jia

By using ab inito calculations within Density Functional Theory, we have explored the possible structures and various properties of porous AlN monolayer materials. Two kinds of por…