2020-08-17
Gate-Tuned Interlayer Coupling in van der Waals Ferromagnet Fe3GeTe2 Nanoflakes
The weak interlayer coupling in van der Waals (vdW) magnets has confined their application to two dimensional (2D) spintronic devices. Here, we demonstrate that the interlayer coupling in a vdW magnet Fe3GeTe2 (FGT) can be largely modulated by a protonic gate. With the increase of the protons ...
2019-08-28
Surface Adsorption and Catalysis
Catalysts play a vital role in human activities, chemical industries and may be the unique way to deal with current energy and environmental crisis[1]. Scientists have been working on the design of novel catalysts with high efficiency at low cost, high selectivity and high stability. However, the ...
2018-09-09
High-Throughput Calculation
With the exponential growth of computing power and steady progress of understanding the condensed systems at the electronic level, we are entering the age of high-throughput calculations, which quickly conduct thousands of well classed systems for a specific functional material, and finally aiming ...
2017-09-12
Structural Stability and Electronic Properties of Boron Nanostructures
Semiconductor nanocrystals (NCs) have been greatly attractive and intensively investigated, which have brought such wide applications as nanoscale electronic and optical devices. Properties of nanomaterials mostly depend on their structures, however, it is challenging to determine the stable ...
2015-10-01
Hydrogen Storage Interface, Strain, Material Design
We have studied hydrogen adsorption on the Mg(0001) surface under biaxial strain, using density-functional theory calculations. A phase diagram is obtained for an intuitive sense of how the strain and hydrogen chemical potential affect the structural stabilities of Mg-H system.During the ...
2014-01-20
Structural Stabilities and Electronic Properties
There is a striking evolution of boron nanostructures with the increasing size confirmed by experimentalists and theorists, due to the electron deficiency. Computational prediction of B80 suggests that a triangular boron lattice with proper vacancies should be more stable, leading to extensive ...