Computational design and property predictions for two-dimensional nanostructures
Recent success in isolating and growing various two-dimensional (2D) materials with
intriguing properties has pushed forward the search for new 2D nanostructures with novel …
intriguing properties has pushed forward the search for new 2D nanostructures with novel …
Valleytronics in two-dimensional materials with line defect
H Tian, C Ren, S Wang - Nanotechnology, 2022 - iopscience.iop.org
The concept of valley originates from two degenerate but nonequivalent energy bands at the
local minimum in the conduction band or local maximum in the valence band. Manipulating …
local minimum in the conduction band or local maximum in the valence band. Manipulating …
Bismuth oxychalcogenides: a new class of ferroelectric/ferroelastic materials with ultra high mobility
Atomically thin Bi2O2Se has been recently synthesized, and it possesses ultrahigh mobility
(Nat. Nanotechnol. 2017, 12, 530; Nano Lett. 2017, 17, 3021). Herein, we show first …
(Nat. Nanotechnol. 2017, 12, 530; Nano Lett. 2017, 17, 3021). Herein, we show first …
Magnetic switches via electric field in BN nanoribbons
L Liu, X Ren, J Xie, B Cheng, W Liu, T An, H Qin… - Applied Surface …, 2019 - Elsevier
The realization of strong magnetoelectric (ME) coupling for efficiently controlling of
magnetism is urgently needed but still a significant challenge. Based on first-principle …
magnetism is urgently needed but still a significant challenge. Based on first-principle …
Ferroelectricity, antiferroelectricity, and ultrathin 2D electron/hole gas in multifunctional monolayer MXene
The presence of ferroelectric polarization in 2D materials is extremely rare due to the effect
of the surface depolarizing field. Here, we use first-principles calculations to show the largest …
of the surface depolarizing field. Here, we use first-principles calculations to show the largest …
Ultrafast Internal Exciton Dissociation through Edge States in MoS2 Nanosheets with Diffusion Blocking
Edge states of two-dimensional transition-metal dichalcogenides (TMDCs) are crucial to
quantum circuits and optoelectronics. However, their dynamics are pivotal but remain …
quantum circuits and optoelectronics. However, their dynamics are pivotal but remain …
Ferroelectricity in covalently functionalized two-dimensional materials: integration of high-mobility semiconductors and nonvolatile memory
Realization of ferroelectric semiconductors by conjoining ferroelectricity with semiconductors
remains a challenging task because most present-day ferroelectric materials are unsuitable …
remains a challenging task because most present-day ferroelectric materials are unsuitable …
Emergence of one-dimensional wires of free carriers in transition-metal-dichalcogenide nanostructures
M Gibertini, N Marzari - Nano letters, 2015 - ACS Publications
We highlight the emergence of metallic states in two-dimensional transition-metal-
dichalcogenide nanostructures nanoribbons, islands, and inversion domain boundaries …
dichalcogenide nanostructures nanoribbons, islands, and inversion domain boundaries …
Spin- and valley-polarized transport across line defects in monolayer
A Pulkin, OV Yazyev - Physical Review B, 2016 - APS
We address the ballistic transmission of charge carriers across ordered line defects in
monolayer transition metal dichalcogenides. Our study reveals the presence of a transport …
monolayer transition metal dichalcogenides. Our study reveals the presence of a transport …
Exploring the dynamics of hourglass shaped lattice metastructures
Continuous demand for the improvement of mechanical performance of engineering
structures pushes the need for metastructures to fulfil multiple functions. Extensive work on …
structures pushes the need for metastructures to fulfil multiple functions. Extensive work on …