Strain induced nitrobenzene sensing performance of MoSi2N4 monolayer: Investigation from density functional theory DOI

A T Sathya,

Manikandan Kandasamy, Susmita Sarkar

и другие.

Surfaces and Interfaces, Год журнала: 2024, Номер 55, С. 105386 - 105386

Опубликована: Ноя. 2, 2024

Язык: Английский

First-principles study on the gas sensing properties of precious metal modified(Ag, Au) Janus MoSeTe for lithium ion thermal runaway gas DOI

Chaowen Xue,

Long Lin, Kun Xie

и другие.

Separation and Purification Technology, Год журнала: 2024, Номер 352, С. 128260 - 128260

Опубликована: Июнь 1, 2024

Язык: Английский

Процитировано

8

The First-Principles investigation of sensing and removal applications of nitrobenzene using pristine and Sc decorated B9N9 nanoring DOI

Riddhi Sainda,

Darshil Chodvadiya, Izabela Zgłobicka

и другие.

Journal of Molecular Liquids, Год журнала: 2024, Номер 409, С. 125389 - 125389

Опубликована: Июнь 29, 2024

Язык: Английский

Процитировано

5

High performance of a vacancy-defected B3C2N3 nanosheets for lithium storage in Li-ion batteries: A first-principles study DOI

Rezvan Rahimi,

Mohammad Solimannejad

Materials Science in Semiconductor Processing, Год журнала: 2025, Номер 192, С. 109411 - 109411

Опубликована: Фев. 24, 2025

Язык: Английский

Процитировано

0

Two-dimensional ScTe2 monolayer: An efficient anode material for sodium-ion battery and cathode material for lithium-ion and potassium-ion battery DOI
T. Dey, Somnath Chowdhury, Sung Gu Kang

и другие.

Computational Materials Science, Год журнала: 2025, Номер 253, С. 113824 - 113824

Опубликована: Март 13, 2025

Язык: Английский

Процитировано

0

Influence of shear strain on the electronic properties of monolayers MoS2, WS2, and MoS2/WS2 vdW heterostructure DOI

Yimin Sun

Journal of Molecular Modeling, Год журнала: 2024, Номер 30(4)

Опубликована: Март 28, 2024

Язык: Английский

Процитировано

3

Influence of Be vacancy on 2D BeN4 single-layer for enhanced H2S sensing: prediction from first-principles simulations DOI
Seetha Lakshmy,

Antara Banerjee,

Gopal Sanyal

и другие.

Journal of Physics D Applied Physics, Год журнала: 2024, Номер 57(27), С. 275301 - 275301

Опубликована: Апрель 4, 2024

Abstract A notable surge in research interest directed towards the exploration and development of two-dimensional materials, specifically realm advancing nano-devices, with a special focus on applications gas detection, has been observed. Among these spotlight fallen newly synthesized single-layered Dirac Semimetal, known as BeN 4 , which holds great promise potential candidate for an efficient sensor. The current investigation uses first-principles calculations to examine H 2 S detection capability pristine point-defect-tempted single-layers. molecule observed be weakly adsorbed pure through weak van der Waals interaction exhibiting very low adsorption energy −0.0726 eV insignificant charge transport. impact Be vacancy point defect was −0.582 eV, manifested by enhanced transmission (0.02 e) from defects. reasonable physical steadiness modest recovery time (6 ms) at ambient conditions indicate possibility point-defected being contender sensor material designing developing robust In addition, exhibited selective response molecules. Our findings will provide reference line fabrication innovative detectors, showcasing practical implications enhancements structures.

Язык: Английский

Процитировано

3

Adsorption and gas-sensing properties of formaldehyde on defective MoS2 monolayers: A first-principles study DOI
Yawen Gao, Shasha Liu, Wenbin Chen

и другие.

Materials Science in Semiconductor Processing, Год журнала: 2024, Номер 179, С. 108492 - 108492

Опубликована: Май 14, 2024

Язык: Английский

Процитировано

3

Effect of strain on the photoelectric properties of molybdenum ditelluride under vacancy defects: a DFT investigation DOI
Ying Dai, Guili Liu, Guoying Zhang

и другие.

Journal of Molecular Modeling, Год журнала: 2024, Номер 30(8)

Опубликована: Июль 8, 2024

Язык: Английский

Процитировано

3

Atomic-level insights into sensing performance of toxic gases on the InSe monolayer decorated with Pd and Pt under humid environment DOI

Xiaoqian Qiu,

Dongxue Xu,

zhixiong Li

и другие.

Sensors and Actuators A Physical, Год журнала: 2024, Номер 378, С. 115846 - 115846

Опубликована: Сен. 3, 2024

Язык: Английский

Процитировано

3

Optimizing the Glucose Sensing performance in 2D MoTe2 via vdW Heterojunction formation with rGO: A DFT Approach DOI
Seetha Lakshmy, Manikandan Kandasamy, Nandakumar Kalarikkal

и другие.

Surfaces and Interfaces, Год журнала: 2025, Номер unknown, С. 105852 - 105852

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0