Polymeric heptazine imide by O doping and constructing van der Waals heterostructures for photocatalytic water splitting: a theoretical perspective from transition dipole moment analyses

2020 ◽  
Vol 22 (18) ◽  
pp. 9915-9922
Author(s):  
Xirui Zhang ◽  
Chao Yu ◽  
Jintong Guan ◽  
Shicheng Jiang ◽  
Yunhui Wang ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Optical Absorption ◽  
Band Structure ◽  
Water Splitting ◽  
Theoretical Perspective ◽  
Van Der Waals ◽  
Transition Dipole Moment ◽  
Van Der Waals Heterostructures ◽  
Transition Dipole ◽  
Photocatalytic Water Splitting

Transition dipole moment is suggested as a bridge between band structure and optical absorption in semiconductor photocatalysts and as referential descriptor for interlayer photoexcitation in layered heterostructures.

Ferroelectricity in 2D metal phosphorous trichalcogenides and van der Waals heterostructures for photocatalytic water splitting

2020 ◽  
Author(s):  
Sheng Huang ◽  
Zhigang Shuai ◽  
Dong Wang
Keyword(s):  
Water Splitting ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures ◽  
Photocatalytic Water Splitting

Integration of ferroelectricity into van der Waals heterostructures offers additional opportunities to control over the properties and functionalities of heterostructures by switching the direction of the polarization via an external...

Efficient band structure tuning, charge separation, and visible-light response in ZrS2-based van der Waals heterostructures

2016 ◽  
Vol 9 (3) ◽  
pp. 841-849 ◽  
Author(s):  
Xirui Zhang ◽  
Zhaoshun Meng ◽  
Dewei Rao ◽  
Yunhui Wang ◽  
Qi Shi ◽  
...  
Keyword(s):  
Band Structure ◽  
Visible Light ◽  
Water Splitting ◽  
Charge Separation ◽  
Van Der Waals ◽  
Light Response ◽  
Van Der Waals Heterostructures ◽  
Visible Light Response

Bilayer ZrS2-based vdW heterostructures are proposed as efficient photocatalysts for water splitting under visible light.

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

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...

Transition-metal dichalcogenides/Mg(OH)2 van der Waals heterostructures as promising water-splitting photocatalysts: a first-principles study

2019 ◽  
Vol 21 (4) ◽  
pp. 1791-1796 ◽  
Author(s):  
Yi Luo ◽  
Sake Wang ◽  
Kai Ren ◽  
Jyh-Pin Chou ◽  
Jin Yu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Water Splitting ◽  
First Principles ◽  
Van Der Waals ◽  
Transition Metal Dichalcogenides ◽  
Van Der Waals Heterostructures ◽  
Photocatalytic Water Splitting ◽  
First Principles Study ◽  
Metal Dichalcogenides

We found that the MoS2/Mg(OH)2 and WS2/Mg(OH)2 vdW heterostructures are promising for application in photocatalytic water splitting.

The Determination of Molecular Quantities from Measurements on Macroscopic Systems.III. Electro-optical Absorption Measurements on Michler's Ketone

1982 ◽  
Vol 37 (12) ◽  
pp. 1409-1415 ◽  
Author(s):  
Wolfgang Liptay ◽  
Jürgen Becker
Keyword(s):  
Dipole Moment ◽  
Excited State ◽  
Optical Absorption ◽  
Dipole Moments ◽  
Transition Dipole Moment ◽  
Spherical Approximation ◽  
Approximation Model ◽  
Transition Dipole ◽  
Absorption Measurements

AbstractSome bulk quantities appropriate for the description of electro-optical absorption measurements on macroscopic systems are defined and their properties are discussed. Based on three molecular models (Lorentz model, Onsager model in spherical approximation and in ellipsoidal approximation) model molar quantities are introduced, which depend on intrinsic properties of the molecule (dipole moments and polarizabilities in the ground and excited state, transition dipole moment and transition polarizability). The relations will be applied for the evaluation of the results of electro-optical absorption measurements on Michler's ketone in cyclohexane in a wavenumber interval near 30 · 105 m-1 . The angles between the dipole moments in the ground and the excited state and the transition dipole moment will be determined; the magnitude of the dipole moment in the corresponding excited state is μaG = 30 · 10-30 Cm. The data show that the symmetry of a solute Michler's ketone molecule most probably corresponds, at least approximately, to the pointgroup Cs.

Band structure engineering of van der Waals heterostructures using ferroelectric clamped sandwich structures

2021 ◽  
Vol 103 (12) ◽  
Author(s):  
Hao Tian ◽  
Changsong Xu ◽  
Xu Li ◽  
Yurong Yang ◽  
L. Bellaiche ◽  
...  
Keyword(s):  
Band Structure ◽  
Sandwich Structures ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures ◽  
Structure Engineering
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