First principles study of electronic and optical properties and photocatalytic performance of GaN–SiS van der Waals heterostructure

S. S. Ullah; M. Farooq; H. U. Din; Q. Alam; M. Idrees; M. Bilal; B. Amin

doi:10.1039/d1ra06011b

First principles study of electronic and optical properties and photocatalytic performance of GaN–SiS van der Waals heterostructure

RSC Advances ◽

10.1039/d1ra06011b ◽

2021 ◽

Vol 11 (52) ◽

pp. 32996-33003

Author(s):

S. S. Ullah ◽

M. Farooq ◽

H. U. Din ◽

Q. Alam ◽

M. Idrees ◽

...

Keyword(s):

Optical Properties ◽

Water Splitting ◽

First Principles ◽

Photocatalytic Performance ◽

Van Der Waals ◽

Two Dimensional ◽

Promising Candidate ◽

Photocatalytic Water Splitting ◽

Electronic And Optical Properties ◽

Van Der Waals Heterostructure

The two dimensional GaN–SiS van der Waals heterostructure is a promising candidate for optoelectronic and photocatalytic water splitting.

Download Full-text

Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

Nanotechnology ◽

10.1088/1361-6528/ab978b ◽

2020 ◽

Vol 31 (37) ◽

pp. 375706 ◽

Cited By ~ 1

Author(s):

Fei Yang ◽

Junnan Han ◽

Le Zhang ◽

Xianhong Tang ◽

Zhenguo Zhuo ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

External Strain

Download Full-text

A first-principles study on the electronic and optical properties of a type-II C2N/g-ZnO van der Waals heterostructure

Physical Chemistry Chemical Physics ◽

10.1039/d1cp00122a ◽

2021 ◽

Vol 23 (6) ◽

pp. 3963-3973

Author(s):

Jianxun Song ◽

Hua Zheng ◽

Minxia Liu ◽

Geng Zhang ◽

Dongxiong Ling ◽

...

Keyword(s):

Optical Properties ◽

Dft Calculations ◽

First Principles ◽

Van Der Waals ◽

Band Alignment ◽

Type Ii ◽

Electronic And Optical Properties ◽

Direct Bandgap ◽

Van Der Waals Heterostructure ◽

Vdw Heterostructure

The structural, electronic and optical properties of a new vdW heterostructure, C2N/g-ZnO, with an intrinsic type-II band alignment and a direct bandgap of 0.89 eV at the Γ point are extensively studied by DFT calculations.

Download Full-text

Auxetic, flexible, and strain-tunable two-dimensional th-AlN for photocatalytic visible light water splitting with anisotropic high carrier mobility

Journal of Materials Chemistry C ◽

10.1039/d1tc00467k ◽

2021 ◽

Vol 9 (14) ◽

pp. 4971-4977

Author(s):

Mehmet Emin Kilic ◽

Kwang-Ryeol Lee

Keyword(s):

Optical Properties ◽

Visible Light ◽

Water Splitting ◽

Carrier Mobility ◽

Two Dimensional ◽

Light Water ◽

Photocatalytic Water Splitting ◽

Electronic And Optical Properties ◽

High Carrier Mobility ◽

High Carrier

Tetrahexagonal AlN: a novel two-dimensional family for photocatalytic water splitting with exceptional mechanical, electronic, and optical properties.

Download Full-text

First-principles calculations of the electronic and optical properties of $$\text {WSe}_2/\text {Cd}_{0.9}\text {Zn}_{0.1}\text {Te}$$ van der Waals heterostructure

Journal of Computational Electronics ◽

10.1007/s10825-021-01659-x ◽

2021 ◽

Author(s):

Anurag Chauhan ◽

Ankit Maahich ◽

Jatin Pal

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Van Der Waals Heterostructure

Download Full-text

First-principles calculations of the structural, electronic, and optical properties of a ZnS/GaP van der Waals heterostructure

Journal of Computational Electronics ◽

10.1007/s10825-019-01348-w ◽

2019 ◽

Vol 18 (3) ◽

pp. 758-769

Author(s):

Aihu Xiong ◽

Xiaolong Zhou

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Van Der Waals Heterostructure

Download Full-text

Electronic and optical properties of van der Waals vertical heterostructures based on two-dimensional transition metal dichalcogenides: First-principles calculations

Physics Letters A ◽

10.1016/j.physleta.2019.01.060 ◽

2019 ◽

Vol 383 (13) ◽

pp. 1487-1492 ◽

Cited By ~ 21

Author(s):

Kai Ren ◽

Minglei Sun ◽

Yi Luo ◽

Sake Wang ◽

Yujing Xu ◽

...

Keyword(s):

Optical Properties ◽

Transition Metal ◽

First Principles ◽

Van Der Waals ◽

Transition Metal Dichalcogenides ◽

Two Dimensional ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Metal Dichalcogenides

Download Full-text

First-principles study of two-dimensional van der Waals heterostructure based on ZnO and Mg(OH)2: A potential photocatalyst for water splitting

Physics Letters A ◽

10.1016/j.physleta.2019.125916 ◽

2019 ◽

Vol 383 (29) ◽

pp. 125916 ◽

Cited By ~ 9

Author(s):

Kai Ren ◽

Jin Yu ◽

Wencheng Tang

Keyword(s):

Water Splitting ◽

First Principles ◽

Van Der Waals ◽

Two Dimensional ◽

First Principles Study ◽

Van Der Waals Heterostructure

Download Full-text

Structural, electronic and optical properties of Bi2O3 polymorphs by first-principles calculations for photocatalytic water splitting

Materials Research Express ◽

10.1088/2053-1591/aa5f67 ◽

2017 ◽

Vol 4 (3) ◽

pp. 034002 ◽

Cited By ~ 4

Author(s):

N S Azhar ◽

M F M Taib ◽

O H Hassan ◽

M Z A Yahya ◽

A M M Ali

Keyword(s):

Optical Properties ◽

Water Splitting ◽

First Principles ◽

First Principles Calculations ◽

Photocatalytic Water Splitting ◽

Electronic And Optical Properties

Download Full-text

Two-dimensional layered Type-II MS2/BiOCl (M = Zr, Hf) van der Waals heterostructures: A promising photocatalysts for hydrogen generation

New Journal of Chemistry ◽

10.1039/d1nj03867b ◽

2021 ◽

Author(s):

Francis Opoku ◽

Osei Akoto ◽

Samuel Osei-Bonsu Oppong ◽

Anthony Apeke Adimado

Keyword(s):

Energy Storage ◽

Water Splitting ◽

Hydrogen Generation ◽

Van Der Waals ◽

H2 Production ◽

Type Ii ◽

Two Dimensional ◽

Van Der Waals Heterostructures ◽

Photocatalytic Water Splitting ◽

Van Der Waals Heterostructure

Sustainable hydrogen (H2) production via photocatalytic water splitting is considered the most promising energy storage, where two-dimensional van der Waals heterostructure, composed of two or more 2D monolayer materials, has...

Download Full-text

Two-dimensional arsenene/g-C3N4 van der Waals heterostructure: a highly efficient photocatalyst for water splitting

Sustainable Energy & Fuels ◽

10.1039/d1se00313e ◽

2021 ◽

Author(s):

Xiao-Hua Li ◽

Bao-Ji Wang ◽

Guo-Dong Wang ◽

Xuefeng Yang ◽

Ruiqi Zhao ◽

...

Keyword(s):

Water Splitting ◽

Van Der Waals ◽

Two Dimensional ◽

Photocatalytic Water Splitting ◽

Energy And Environment ◽

Highly Efficient ◽

Van Der Waals Heterostructure ◽

Efficient Route

Producing hydrogen through photocatalytic water splitting is a feasible and efficient route for resolving the problems associated with energy and environment, and great efforts have been devoted to improve solar-to-hydrogen...

Download Full-text