First principles design of two dimensional TiSSe Janus drug delivery system for nitrosourea DOI Creative Commons
Diwei Shi,

Zhengwei Yan,

Shiyu Du

et al.

RSC Advances, Journal Year: 2024, Volume and Issue: 14(43), P. 31433 - 31438

Published: Jan. 1, 2024

In this paper, we delved into the exploration of a novel drug delivery platform for nitrosourea, leveraging Janus-structured two-dimensional material, TiSSe, as carrier. Our approach was grounded in comprehensive application first-principles computational methods. By evaluating adsorption energies across spectrum potential configurations, demonstrated favorable attributes TiSSe carrier nitrosourea. in-depth examination electronic structure unveiled intriguing insights. The Janus nature imparts distinct profiles to nitrosourea molecules at sulfur (S) and selenium (Se) terminated surfaces. This disparity properties not only facilitates precise detection but also helps design more materials.

Language: Английский

Unconventional (anti)ferroelectricity in van der Waals group-IV monochalcogenides DOI Creative Commons
Fengrui Sui, Yilun Yu, Ju Chen

et al.

Nature Communications, Journal Year: 2025, Volume and Issue: 16(1)

Published: Feb. 20, 2025

Fundamentally, ferroelectrics must belong to a noncentrosymmetric space group, limiting the exploration of more new ferroelectric materials. We circumvent this limitation by triggering structure distortion and inducing ferroelectricity in centrosymmetric van der Waals group-IV monochalcogenide GeSe semiconductor that features unexpected intrinsic out-of-plane antiferroelectricity. Double-type single-type hysteresis loops from electric measurements, bonding observed in-situ atomic imaging, perpendicular polarization uncovered first-principles calculations, confirm antiferroelectricity antiferroelectric-ferroelectric transition induced vertical external electric-field. The hidden field spatial-inversion symmetric makes it member layered semiconductors with both in-plane ferroelectricity, possibly, can be extended all monochalcogenides other

Language: Английский

Citations

1
Picometer‐Level In Situ Manipulation of Ferroelectric Polarization in Van der Waals layered InSe DOI

Hanbin Gao,

Ziyuan Liu,

Yue Gong

et al.

Advanced Materials, Journal Year: 2024, Volume and Issue: 36(47)

Published: Oct. 4, 2024

Abstract Ferroelectric 2D van der Waals (vdW) layered materials are attracting increasing attention due to their potential applications in next‐generation nanoelectronics and in‐memory computing with polarization‐dependent functionalities. Despite the critical role of polarization governing ferroelectricity behaviors, its origin relation local structures vdW have not been fully elucidated so far. Here, intralayer sliding approximately six degrees within each quadruple‐layer prototype ferroelectrics InSe is directly observed manipulated using sub‐angstrom resolution imaging situ biasing an aberration‐corrected scanning transmission electron microscope. The electric manipulation further indicates that reversal can be achieved by altering field direction. Density functional theory calculations reveal reversible picometer‐level responsible for switchable out‐of‐plane polarization. observation demonstrate structural establish a dynamic variation model future investigations on more ferroelectric materials.

Language: Английский

Citations

4
Non-hydrostatic pressure induced α to β phase transition in group IV–VI monochalcogenide GeSe DOI

Abliz Mattursun,

Wen‐Yi Tong, Yaqiong Wang

et al.

Journal of Materials Chemistry C, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

The α-to-β phase transition in 2D vdW GeSe, induced by non-hydrostatic pressure and mediated an intermediate Cmcm phase, is directly observed validated through experimental characterization first-principles calculations.

Language: Английский

Citations

0
Emergence of polar skyrmions in 2D Janus CrInX3 (X=Se, Te) magnets DOI Creative Commons

Fengyi Zhou,

Monirul Shaikh, Weiwei Sun

et al.

npj 2D Materials and Applications, Journal Year: 2024, Volume and Issue: 8(1)

Published: Aug. 2, 2024

Abstract In the realm of multiferroicity in 2D magnets, whether magnetic and polar skyrmions can coexist within a single topological entity has emerged as an important question. Here, we study Janus magnets CrIn X 3 ( =Se, Te) for comprehensive investigation ground state, excited corresponding ferroelectric polarization by first-principles electronic structure calculations Monte Carlo simulations. Specifically, have thoroughly elucidated exchange mechanisms, fully exemplified field dependence magnon spectrum. More importantly, our reveals previously unrecognized, remarkably large spin-spiral-induced (up to 194.9 μ C/m 2 ) both compounds. We propose approach identify skyrmions, based on observed direct correlation between spin texture density. Elucidating this not only deepens understanding but also paves way innovative research multiferroic skyrmions.

Language: Английский

Citations

3
Calculated shift currents of two-dimensional Janus Si and Ge chalcogenides DOI
Junwen Lai, Peitao Liu, Xing‐Qiu Chen

et al.

Physical review. B./Physical review. B, Journal Year: 2025, Volume and Issue: 111(16)

Published: April 4, 2025

Language: Английский

Citations

0
Valley manipulation by external fields in two-dimensional materials and their hybrid systems DOI
Ya-Ping Shao, Yunqin Li, Yi‐Fan Tan

et al.

Journal of Physics Condensed Matter, Journal Year: 2024, Volume and Issue: 37(5), P. 053003 - 053003

Published: Nov. 6, 2024

Abstract Investigating two-dimensional (2D) valleytronic materials opens a new chapter in physics and facilitates the emergence of pioneering technologies. Nevertheless, this nascent field faces substantial challenges, primarily attributed to inherent issue valley energy degeneracy manipulation properties. To break these constraints, application external fields has become pivotal for both generating manipulating properties 2D systems. This paper takes close look at latest progress modulating using fields, covering wide array configurations from monolayers bilayers intricate heterostructures. We hope that overview will inspire more exciting discoveries significantly propel evolution valleytronics within realm material research.

Language: Английский

Citations

1
First principles design of two dimensional TiSSe Janus drug delivery system for nitrosourea DOI Creative Commons
Diwei Shi,

Zhengwei Yan,

Shiyu Du

et al.

RSC Advances, Journal Year: 2024, Volume and Issue: 14(43), P. 31433 - 31438

Published: Jan. 1, 2024

In this paper, we delved into the exploration of a novel drug delivery platform for nitrosourea, leveraging Janus-structured two-dimensional material, TiSSe, as carrier. Our approach was grounded in comprehensive application first-principles computational methods. By evaluating adsorption energies across spectrum potential configurations, demonstrated favorable attributes TiSSe carrier nitrosourea. in-depth examination electronic structure unveiled intriguing insights. The Janus nature imparts distinct profiles to nitrosourea molecules at sulfur (S) and selenium (Se) terminated surfaces. This disparity properties not only facilitates precise detection but also helps design more materials.

Language: Английский

Citations

0