DFT Studies of the Photocatalytic Properties of MoS2-Doped Boron Nitride Nanotubes for Hydrogen Production

DFT studies of structural, electronic and optical properties of (5, 5) armchair magnesium oxide nanotubes (MgONTs)

(2023) Yahaya Saadu Itas et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Insights into alloy/oxide or hydroxide interfaces in Ni–Mo-based electrocatalysts for hydrogen evolution under alkaline conditions

(2023) Min Luo et al.   Chemical Science

Effects of Exchange Correlation Functional (Vwdf3) on the Structural, Elastic, and Electronic Properties of Transition Metal Dichalogenides

(2023) Shehu Aminu Yamusa et al.   Journal of Nigerian Society of Physical Sciences

Cu-Zn-based alloy/oxide interfaces for enhanced electroreduction of CO2 to C2+ products

(2023) Zi-Yang Zhang et al.   Journal of Energy Chemistry

A Ni(II) Metal–Organic Framework with Mixed Carboxylate and Bipyridine Ligands for Ultrafast and Selective Sensing of Explosives and Photoelectrochemical Hydrogen Evolution

(2022) Sudip Bhattacharjee et al.   ACS Applied Materials & Interfaces

A Review on Optical Bandgap Engineering in TiO2 Nanostructures via Doping and Intrinsic Vacancy Modulation Towards Visible Light Applications

(2022) Radhika V Nair et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

The synthesis of the P/N-type NdCoO3/g-C3N4 nano-heterojunction as a high-performance photocatalyst for the enhanced photocatalytic degradation of pollutants under visible-light irradiation

(2022) Salimeh Kianipour et al.   Arabian Journal of Chemistry

The Exchange-Correlation Effects on the Electronic Bands of Hybrid Armchair Single-Walled Carbon Boron Nitride Nanostructure

(2022) Yahaya Saadu Itas et al.   Crystals

Effect of metal doping in Bi2WO6 micro-flowers for enhanced photoelectrochemical water splitting

(2022) Susmita Bera et al.   CERAMICS INTERNATIONAL

GW Quasiparticle Energies and Bandgaps of Two-Dimensional Materials Immersed in Water

(2022) Se-Jun Kim et al.   Journal of Physical Chemistry Letters

Photothermal properties of two-dimensional molybdenum disulfide (MoS2) with nanoflower and nanosheet morphology

(2022) Marzieh Salimi et al.   MATERIALS RESEARCH BULLETIN

Computational Studies of the Excitonic and Optical Properties of Armchair SWCNT and SWBNNT for Optoelectronics Applications

(2022) Yahaya Saadu Itas et al.   Crystals

Effects of oxygen absorption on the electronic and optical properties of armchair and zigzag Silicon Carbide Nanotubes (SiCNTs)

(2022) Yahaya Saadu Itas et al.   PHYSICA SCRIPTA

Assemble of Bi-doped TiO2 onto 2D MoS2: an efficient p–n heterojunction for photocatalytic H2 generation under visible light

(2021) Susmita Bera et al.   NANOTECHNOLOGY

Boosting photocatalytic hydrogen production from water by photothermally induced biphase systems

(2021) Shaohui Guo et al.   Nature Communications

Synthesis of Thermally Stable h-BN-CNT Hetero-Structures via Microwave Heating of Ethylene under Nickel, Iron, and Silver Catalysts

(2021) Yahaya Saadu Itas et al.   Crystals

2D MoS2: structure, mechanisms, and photocatalytic applications

(2021) N. Thomas et al.   Materials Today Sustainability

A DFT study of the water-splitting photocatalytic properties of pristine, Nb-doped, and V-doped Ta3N5 monolayer nanosheets

(2021) Hamidreza Jouypazadeh et al.   Surfaces and Interfaces

Photocatalytic and Gas Sensitive Multiwalled Carbon Nanotube/TiO2-ZnO and ZnO-TiO2 Composites Prepared by Atomic Layer Deposition

(2020) László Péter Bakos et al.   Nanomaterials

Machine Learning Band Gaps of Doped-TiO2 Photocatalysts from Structural and Morphological Parameters

(2020) Yun Zhang et al.   ACS Omega

Highly Visible Light Responsive, Narrow Band gap TiO2 Nanoparticles Modified by Elemental Red Phosphorus for Photocatalysis and Photoelectrochemical Applications

(2016) Sajid Ali Ansari et al.   Scientific Reports

A DFT study of elastic and structural properties of (3,3) boron nitride nanotube under external electric field

(2015) R. Ansari et al.   SUPERLATTICES AND MICROSTRUCTURES

Elastic Properties of Carbon Nanotubes

(2013) Yingjing Liang et al.   Journal of Computational and Theoretical Nanoscience

Density functional theory investigation of the mechanical properties of single-walled carbon nanotubes

(2011) A. Fereidoon et al.   COMPUTATIONAL MATERIALS SCIENCE

Turbo charging time-dependent density-functional theory with Lanczos chains

(2008) Dario Rocca et al.   JOURNAL OF CHEMICAL PHYSICS

Electron transport through carbon nanotube intramolecular heterojunctions with peptide linkages

(2008) Sang Uck Lee et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS