2D Slab Models of Nanotubes Based on Tetragonal TiO<sub>2</sub> Structures: Validation over a Diameter Range

2D Slab Models of Nanotubes Based on Tetragonal TiO<sub>2</sub> Structures: Validation over a Diameter Range

One-dimensional nanomaterials receive much attention thanks to their advantageous properties compared to simple, bulk materials. A particular application of 1D nanomaterials is photocatalytic hydrogen generation from water. Such materials are studied not only experimentally, but also computationally...

Full description

Bibliographic Details
Main Authors:	Oleg Lisovski, Sergei Piskunov, Dmitry Bocharov, Stephane Kenmoe
Format:	Article
Language:	English
Published:	MDPI AG 2021-07-01
Series:	Nanomaterials
Subjects:	nanotubes TiO<sub>2</sub> water adsorption slab model DFT water splitting
Online Access:	https://www.mdpi.com/2079-4991/11/8/1925

Similar Items

2D slab models of TiO2 nanotubes for simulation of water adsorption: Validation over a diameter range
by: Oleg Lisovski, et al.
Published: (2020-12-01)

TiO<sub>2</sub> as a Photocatalyst for Water Splitting—An Experimental and Theoretical Review
by: Håkon Eidsvåg, et al.
Published: (2021-03-01)

Synthesis of Mesoporous TiO<sub>2</sub>-B Nanobelts with Highly Crystalized Walls toward Efficient H<sub>2</sub> Evolution
by: Ping Li, et al.
Published: (2019-06-01)

Applying Hydrogenation to Stabilize N-TiO<sub>2</sub> and Enhance Its Visible Light Photocatalytic Activity
by: Dongqiu Zhao, et al.
Published: (2022-01-01)

Characterization and Comparison of WO<sub>3</sub> with Hybrid WO<sub>3</sub>-MoO<sub>3</sub> and TiO<sub>2</sub> with Hybrid TiO<sub>2</sub>-ZnO Nanostructures as Photoanodes
by: M. Cifre-Herrando, et al.
Published: (2023-05-01)

Optimization of α-Fe<sub>2</sub>O<sub>3</sub> Nanopillars Diameters for Photoelectrochemical Enhancement of α-Fe<sub>2</sub>O<sub>3</sub>-TiO<sub>2</sub> Heterojunction
by: Herme G. Baldovi
Published: (2021-08-01)

Characterization and Comparison of WO<sub>3</sub>/WO<sub>3</sub>-MoO<sub>3</sub> and TiO<sub>2</sub>/TiO<sub>2</sub>-ZnO Nanostructures for Photoelectrocatalytic Degradation of the Pesticide Imazalil
by: Mireia Cifre-Herrando, et al.
Published: (2023-09-01)

Enhanced Photoelectrochemical Activity of TiO<sub>2</sub> Nanotubes Decorated with Lanthanide Ions for Hydrogen Production
by: Hyekyung Cho, et al.
Published: (2022-08-01)

Biomimetic Catalysts Based on Au@TiO<sub>2</sub>-MoS<sub>2</sub>-CeO<sub>2</sub> Composites for the Production of Hydrogen by Water Splitting
by: Kenneth Fontánez, et al.
Published: (2022-12-01)

Graphene Quantum Dots Improved “Caterpillar”-like TiO<sub>2</sub> for Highly Efficient Photocatalytic Hydrogen Production
by: Jing Ma, et al.
Published: (2021-09-01)

Ozone Activation on TiO<sub>2</sub> Studied by IR Spectroscopy and Quantum Chemistry
by: Timur Aminev, et al.
Published: (2021-08-01)

Preparation of W<sub>18</sub>O<sub>49</sub>/C-TiO<sub>2</sub> direct Z-scheme photocatalyst and photocatalytic water splitting for H<sub>2</sub> production
by: ZHANG Kun, et al.
Published: (2021-05-01)

Liquid-Phase Deposition Synthesis of ZIF-67-Derived Synthesis of Co<sub>3</sub>O<sub>4</sub>@TiO<sub>2</sub> Composite for Efficient Electrochemical Water Splitting
by: Zaffar Ahmed Shaikh, et al.
Published: (2021-03-01)

Nanoscale Multidimensional Pd/TiO<sub>2</sub>/g-C<sub>3</sub>N<sub>4</sub> Catalyst for Efficient Solar-Driven Photocatalytic Hydrogen Production
by: Ting-Han Lin, et al.
Published: (2021-01-01)

Pristine TiO<sub>2</sub> and Sr-Doped TiO<sub>2</sub> Nanostructures for Enhanced Photocatalytic and Electrocatalytic Water Splitting Applications
by: Mohd Fazil, et al.
Published: (2023-01-01)

Hydrothermally Derived Mg-Doped TiO<sub>2</sub> Nanostructures for Enhanced H<sub>2</sub> Evolution Using Photo- and Electro-Catalytic Water Splitting
by: Mohd Fazil, et al.
Published: (2023-05-01)

Two-Dimensional Sb Modified TiO<sub>2</sub> Nanorod Arrays as Photoanodes for Efficient Solar Water Splitting
by: Jie Gao, et al.
Published: (2023-04-01)

First Principles Study on the Features of Ca<sub>x</sub>Sr<sub>2−x</sub>Ta<sub>2</sub>O<sub>7</sub> (x = 0, 1) as a Photocatalytic Material
by: Marianela Gómez-Toledo, et al.
Published: (2022-12-01)

Influence of Water on the Oxidation of NO on Pd/TiO<sub>2</sub> Photocatalysts
by: M. J. Hernández Rodríguez, et al.
Published: (2020-11-01)

Recent Advances in the Design of Plasmonic Au/TiO<sub>2</sub> Nanostructures for Enhanced Photocatalytic Water Splitting
by: Jehad Abed, et al.
Published: (2020-11-01)

The Use of TiO<sub>2</sub> as a Disinfectant in Water Sanitation Applications
by: Rafael Magaña-López, et al.
Published: (2021-06-01)

The Effect of Laser Re-Solidification on Microstructure and Photo-Electrochemical Properties of Fe-Decorated TiO<sub>2</sub> Nanotubes
by: Piotr Kupracz, et al.
Published: (2020-09-01)

DFT Calculation of Carbon-Doped TiO<sub>2</sub> Nanocomposites
by: Kim Robert Gustavsen, et al.
Published: (2023-09-01)

Enhanced Photoelectrochemical Water Oxidation Using TiO<sub>2</sub>-Co<sub>3</sub>O<sub>4</sub> p–n Heterostructures Derived from in Situ-Loaded ZIF-67
by: Chau Thi Thanh Thu, et al.
Published: (2023-08-01)

TiO<sub>2</sub> Gas Sensors Combining Experimental and DFT Calculations: A Review
by: Zirui Yan, et al.
Published: (2022-10-01)

Synthesis and Photochemical Properties of Monolithic TiO<sub>2</sub> Nanowires Diode
by: Massimo Zimbone, et al.
Published: (2021-06-01)

Double-Nozzle Flame Spray Pyrolysis as a Potent Technology to Engineer Noble Metal-TiO<sub>2</sub> Nanophotocatalysts for Efficient H<sub>2</sub> Production
by: Maria Solakidou, et al.
Published: (2021-02-01)

Partially Reduced Ni-NiO-TiO<sub>2</sub> Photocatalysts for Hydrogen Production from Methanol–Water Solution
by: Helena Drobná, et al.
Published: (2023-01-01)

On the Morphology of Nanostructured TiO<sub>2</sub> for Energy Applications: The Shape of the Ubiquitous Nanomaterial
by: Serena Gagliardi, et al.
Published: (2022-07-01)

DFT Study of Methylene Blue Adsorption on ZnTiO<sub>3</sub> and TiO<sub>2</sub> Surfaces (101)
by: Ximena Jaramillo-Fierro, et al.
Published: (2021-06-01)

Immobilization of TiO<sub>2</sub> Photocatalysts for Water Treatment in Geopolymer Based Coatings
by: Lukas Dufner, et al.
Published: (2023-05-01)

In Situ Assembly of Well-Defined MoS<sub>2</sub> Slabs on Shape-Tailored Anatase TiO<sub>2</sub> Nanostructures: Heterojunctions Role in Phenol Photodegradation
by: Rosangela Santalucia, et al.
Published: (2022-11-01)

RH Sensing by Means of TiO<sub>2</sub> Nanoparticles: A Comparison among Different Sensing Techniques Based on Modeling and Chemical/Physical Interpretation
by: Irene Cappelli, et al.
Published: (2020-09-01)

Black 3D-TiO<sub>2</sub> Nanotube Arrays on Ti Meshes for Boosted Photoelectrochemical Water Splitting
by: Ming Meng, et al.
Published: (2022-04-01)

Unraveling the Roles of MW/UV/TiO<sub>2</sub> Photocatalysis Technologies for Organic Wastewater Treatment
by: Hui Xia, et al.
Published: (2023-04-01)

Synthesis and Characterization of a Photocatalytic Material Based on Raspberry-like SiO<sub>2</sub>@TiO<sub>2</sub> Nanoparticles Supported on Graphene Oxide
by: Citlalli Rios, et al.
Published: (2023-10-01)

CO<sub>2</sub> and CH<sub>2</sub> Adsorption on Copper-Decorated Graphene: Predictions from First Principle Calculations
by: Oleg Lisovski, et al.
Published: (2022-01-01)

Intrinsic Properties of Multi-Layer TiO<sub>2</sub>/V<sub>2</sub>O<sub>5</sub>/TiO<sub>2</sub> Coatings Prepared via E-Beam Evaporation
by: Irfa Rehman, et al.
Published: (2022-05-01)

Low-Temperature Synthesis Strategy for MoS<sub>2</sub> Slabs Supported on TiO<sub>2</sub>(110)
by: Mahesh K. Prabhu, et al.
Published: (2020-11-01)

Recent Advances of Single-Atom Metal Supported at Two-Dimensional MoS<sub>2</sub> for Electrochemical CO<sub>2</sub> Reduction and Water Splitting
by: Jiahao Wang, et al.
Published: (2023-09-01)