First principles study of 2D polar heterostructures. DOI Open Access

Safia Abdullah R Alharbi

Опубликована: Янв. 1, 2023

Recently, two-dimensional (2D) heterostructures have attracted extensive attention in nanomaterials science. They been successfully fabricated and applied to nanotechnology many fields, such as nanoelectronics, solar cells, sensors, energy stores, quantum information, etc. The most common are 2D-lateral heterostructure (LH) 2D-vertical (VH) where each of them exhibits unique features depending on the direction assembly, i.e., along in-plane or out-of-plane direction. Beyond van der Waals-VH which possess Waals (vdW) interaction, there other types made 2D polar materials that different chemical bonding nature, e.g., bonds with less (e.g., SiC monolayer) more GeC SiGe monolayers) charge transfer between atoms, forming covalent a certain ionicity. goal this work focused shedding light physical aspects LH VH, constructed by ������, GeC, monolayers). This is theoretical study employing Density Functional Theory unravel properties heterostructures. Because an artificial strain will be induced lattice mismatch building heterostructures, effect electronic of, monolayers was first investigated. It found these can tolerate up 8%, induce modifications properties. Interestingly, it ������ undergo direct-indirect band gap transition; while, monolayer undergoes metal-semimetal transition, attractive candidates for Second, systematic aspect polar-LH has conducted. synergistic strain, nature at interface, confinement lead several interesting phenomena. For instance, their modulated tuning domain size, designing interface. Accordingly, lateral spontaneous p-n junction triggered detected implies promising applications visible photocatalyst. Third, roles stacking species arrangement interlayer interactions (including vdW electrostatic forces) stabilizing structure modulating polar-VH were deeply studied. that, addition redistribution net-charge transfer, net also occurs layers leads polarization interfacial region induces built-in electric field helps reduce recombination photogenerated electron-hole pairs.

Язык: Английский

Architecting high-performance photocatalysts: A review of modified 2D/2D graphene/g-C3N4 heterostructures DOI
Muhammad Akram,

Tuba Ashraf,

Lei Tong

и другие.

Journal of environmental chemical engineering, Год журнала: 2024, Номер 12(5), С. 113415 - 113415

Опубликована: Июнь 28, 2024

Язык: Английский

Процитировано

28

Heteroepitaxial MOF-on-MOF Photocatalyst for Solar-Driven Water Splitting DOI Creative Commons
Thibaut Le Huec, Antón López‐Francés, Isabel Abánades Lázaro

и другие.

ACS Nano, Год журнала: 2024, Номер 18(31), С. 20201 - 20212

Опубликована: Июль 30, 2024

Assembly of different metal-organic frameworks (MOFs) into hybrid MOF-on-MOF heterostructures has been established as a promising approach to develop synergistic performances for variety applications. Here, we explore the performance heterostructure by epitaxial growth MIL-88B(Fe) onto UiO-66(Zr)-NH2 nanoparticles. The face-selective design and appropriate energy band structure alignment selected MOF constituents have permitted its application an active heterogeneous photocatalyst solar-driven water splitting. composite achieves apparent quantum yields photocatalytic overall splitting at 400 450 nm about 0.9%, values that compare much favorably with previous analogous reports. Understanding this high activity gained spectroscopic electrochemical characterization together scanning transmission electron microscopy (STEM, TEM) measurements. This study exemplifies possibility developing operates under Z-scheme mechanism exhibits outstanding toward solar light.

Язык: Английский

Процитировано

23

Unveiling cutting-edge progress in the fundamentals of MXene: Synthesis strategies, energy and bio-environmental applications DOI

Ikhtiar Gul,

Murtaza Sayed,

Tooba Saeed

и другие.

Coordination Chemistry Reviews, Год журнала: 2024, Номер 511, С. 215870 - 215870

Опубликована: Апрель 21, 2024

Язык: Английский

Процитировано

19

Recent progress of hydrogen-bonded organic framework-based photocatalysis DOI

Heng Yuan,

Jian Xiao, An‐An Zhang

и другие.

EnergyChem, Год журнала: 2025, Номер 7(3), С. 100151 - 100151

Опубликована: Март 10, 2025

Язык: Английский

Процитировано

1

Computation insights of MoS2-CrXY (X≠Y S, Se, Te) van der waals heterostructure for Spintronic and photocatalytic water Splitting applications DOI
M. Idrees, B. Amin, Yuanping Chen

и другие.

International Journal of Hydrogen Energy, Год журнала: 2023, Номер 51, С. 1217 - 1228

Опубликована: Авг. 10, 2023

Язык: Английский

Процитировано

17

Ascorbic-acid-assisted in-situ construction of S-scheme CuO/Cu2O hetero-nanosheets with active Cu(II)-O-Cu(I) bridges for efficient CO2 photoreduction DOI
Lei Li, Changfa Guo, Tianqi Li

и другие.

Applied Surface Science, Год журнала: 2023, Номер 651, С. 159220 - 159220

Опубликована: Дек. 28, 2023

Язык: Английский

Процитировано

15

Coupling interface constructions of ZnO@ZnS@FeOOH for photocatalytic hydrogen production performance DOI

Tonglin Chigan,

Bochao Ma,

Cong Zhang

и другие.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Год журнала: 2024, Номер 688, С. 133551 - 133551

Опубликована: Фев. 23, 2024

Язык: Английский

Процитировано

6

Oxygen vacancy induced robust interfacial electric field for efficient photocatalytic hydrogen peroxide production DOI
Tongyao Liu, Fang Chen,

Yue An

и другие.

Chemical Engineering Journal, Год журнала: 2023, Номер 479, С. 147724 - 147724

Опубликована: Ноя. 27, 2023

Язык: Английский

Процитировано

12

Design of 2D/2D β-Ni(OH)2/ZnO heterostructures via photocatalytic deposition of nickel for sonophotocatalytic degradation of tetracycline and modeling with three supervised machine learning algorithms DOI

Aghil Ajami Yazdi,

Azadeh Ebrahimian Pirbazari, Fatemeh Esmaeili Khalil Saraei

и другие.

Chemosphere, Год журнала: 2024, Номер 352, С. 141328 - 141328

Опубликована: Янв. 29, 2024

Язык: Английский

Процитировано

5

A first-principles study on two-dimensional tetragonal samarium nitride as a novel photocatalyst for hydrogen production DOI
Mian Azmat, Abdul Majid, Mohammad Alkhedher

и другие.

International Journal of Hydrogen Energy, Год журнала: 2023, Номер 48(79), С. 30732 - 30740

Опубликована: Май 7, 2023

Язык: Английский

Процитировано

11