Structural, mechanical, electronic and optical properties of N-decorated single-walled silicon carbide nanotube photocatalyst for hydrogen evolution via water splitting: a DFT study

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

A comprehensive review on the electrochemical parameters and recent material development of electrochemical water splitting electrocatalysts

(2023) Asha Raveendran et al.   RSC Advances

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

Studies of H2 storage efficiency of metal-doped carbon nanotubes by optical adsorption spectra analysis

(2023) Yahaya Saadu Itas et al.   DIAMOND AND RELATED MATERIALS

CO2 Capture by Metal-Decorated Silicon Carbide Nanotubes

(2023) Ram Sevak Singh   Silicon

First-Principle Studies of the Structural, Electronic, and Optical Properties of Double-Walled Carbon Boron Nitride Nanostructures Heterosystem under Various Interwall Distances

(2023) Yahaya Saadu Itas et al.   Journal of Chemistry

Recent Advances on Small Band Gap Semiconductor Materials (≤2.1 eV) for Solar Water Splitting

(2023) Hefeng Zhang et al.   Catalysts

Engineering two-dimensional SnC/HfSSe heterojunction as a direct Z-scheme photocatalyst for water splitting hydrogen evolution

(2023) Wenyi Tang et al.   APPLIED SURFACE SCIENCE

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

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

Studies of the hydrogen energy storage potentials of Fe- and Al-doped silicon carbide nanotubes (SiCNTs) by optical adsorption spectra analysis

(2023) Yahaya Saadu Itas et al.   Journal of Energy Storage

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

(2023) Yahaya Saadu Itas et al.   ACS Omega

Tailoring the Surface and Interface Structures of Copper‐Based Catalysts for Electrochemical Reduction of CO 2 to Ethylene and Ethanol

(2022) Ziyang Zhang et al.   Small

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

(2022) Yahaya Saadu Itas et al.   Crystals

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

(2022) Yahaya Saadu Itas et al.   Crystals

First-Principles Study of Metal Impurities in Silicon Carbide: Structural, Magnetic, and Electronic Properties

(2022) Lin Zhang et al.   Frontiers in Materials

Evaluation of solar energy absorption and photo-thermal conversion performance of SiC/ITO hybrid nanofluid

(2022) Hyemin Kim et al.   Case Studies in Thermal Engineering

Theoretical Study on the Electrochemical Water Splitting of Two-Dimensional Metal–Organic Frameworks TM3C12O12 (TM = Mn, Fe, Co, Ni)

(2022) Quan Li 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

Exciton-Photon Interactions in Semiconductor Nanocrystals: Radiative Transitions, Non-Radiative Processes and Environment Effects

(2021) Vladimir A. Burdov et al.   Applied Sciences-Basel

Hydrogen boride nanotubes and their C, N, O decoration and doping derivatives as materials for hydrogen-containing gases storage and sensing: A SCC–DFTB study

(2021) Nontawat Ploysongsri et al.   VACUUM

Effect of Nitrogen and Aluminum Doping on 3C-SiC Heteroepitaxial Layers Grown on 4° Off-Axis Si (100)

(2021) Cristiano Calabretta et al.   Materials

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

High-concentration N-doped La2Ti2O7 nanocrystals: Effects of nano-structuration and doping sites on enhancing the photocatalytic activity

(2021) Jingwen Wang et al.   CHEMICAL ENGINEERING JOURNAL

Charge-compensated codoped pseudohexagonal zinc selenide nanosheets towards enhanced visible-light-driven photocatalytic water splitting for hydrogen production

(2021) Chen Ni et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

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

Optimization of N doping in TiO2 nanotubes for the enhanced solar light mediated photocatalytic H2 production and dye degradation

(2020) Yadala Venkata Divyasri et al.   ENVIRONMENTAL POLLUTION

Hydrogen production with a photovoltaic thermal system enhanced by phase change materials, Shiraz, Iran case study

(2019) M. Babayan et al.   JOURNAL OF CLEANER PRODUCTION

Electrochemical water oxidation on WO 3 surfaces: A density functional theory study

(2018) Ravi Kishore et al.   CATALYSIS TODAY

Impact of photocatalyst optical properties on the efficiency of solar photocatalytic reactors rationalized by the concepts of initial rate of photon absorption (IRPA) dimensionless boundary layer of photon absorption and apparent optical thickness

(2018) Raúl Acosta-Herazo et al.   CHEMICAL ENGINEERING JOURNAL

Synthesis of gallium oxynitride nanoparticles through hydrothermal reaction in the presence of acetylene black and their photocatalytic NOx decomposition

(2017) Yusuke Asakura et al.   Nanoscale

Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide

(2017) Toma Susi et al.   Scientific Reports

Photocatalytic mechanism of metoprolol oxidation by photocatalysts TiO 2 and TiO 2 doped with 5% B: Primary active species and intermediates

(2016) Rodrigo Pereira Cavalcante et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Hydrogen adsorption in metal-decorated silicon carbide nanotubes

(2016) Ram Sevak Singh et al.   CHEMICAL PHYSICS LETTERS

Modulation of electronic properties of silicon carbide nanotubes via sulphur-doping: An ab initio study

(2016) Ram Sevak Singh et al.   PHYSICS LETTERS A

Effect of carrier concentration on the optical band gap of TiO 2 nanoparticles

(2016) Shamsa Munir et al.   MATERIALS & DESIGN

Nitrogen-doped (6,0) and (4,4) single-walled SiC nanotubes: A DFT study on surface reactivity and NMR parameters

(2013) Amir Mahdaviani et al.   SUPERLATTICES AND MICROSTRUCTURES

Hydrogen production by Tuning the Photonic Band Gap with the Electronic Band Gap of TiO2

(2013) G. I. N. Waterhouse et al.   Scientific Reports

Photolysis and TiO2 photocatalysis of the pharmaceutical propranolol: Solar and artificial light

(2012) N. De la Cruz et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Magnetism of single-walled silicon carbide nanotubes doped by boron, nitrogen and oxygen

(2012) Ahmed Maghnaoui et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Work function of single-wall silicon carbide nanotube

(2010) Fawei Zheng et al.   APPLIED PHYSICS LETTERS

Photocatalytic treatment of metoprolol and propranolol

(2010) V. Romero et al.   CATALYSIS TODAY

Turning carbon dioxide into fuel

(2010) Z. Jiang et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Mechanical properties of carbon nanotube–alumina nanocomposites synthesized by chemical vapor deposition and spark plasma sintering

(2008) T. Zhang et al.   COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING

Silicon Carbide Nanotubes Functionalized by Transition Metal Atoms:  A Density-Functional Study

(2008) Jing-xiang Zhao et al.   Journal of Physical Chemistry C

Photocatalytic degradation of non-steroidal anti-inflammatory drugs with TiO2 and simulated solar irradiation

(2007) Fabiola Méndez-Arriaga et al.   WATER RESEARCH