David Sibanda | National University of Science and Technology Zimbabwe (original) (raw)

David Sibanda

A mechanical engineering research fellow

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Papers by David Sibanda

Research paper thumbnail of Investigation of Photoelectric properties, substrate effects and structural identification of layered Rutile Titanium Oxide with ꭓ3 of borophene using Density Functional Theory

Research paper thumbnail of A Mini Review on Thin Film Superconductors

Processes

Thin superconducting films have been a significant part of superconductivity research for more th... more Thin superconducting films have been a significant part of superconductivity research for more than six decades. They have had a significant impact on the existing consensus on the microscopic and macroscopic nature of the superconducting state. Thin-film superconductors have properties that are very different and superior to bulk material. Amongst the various classification criteria, thin-film superconductors can be classified into Fe based thin-film superconductors, layered titanium compound thin-film superconductors, intercalation compounds of layered and cage-like structures, and other thin-film superconductors that do not fall into these groups. There are various techniques of manufacturing thin films, which include atomic layer deposition (ALD), chemical vapour deposition (CVD), physical vapour deposition (PVD), molecular beam epitaxy (MBE), sputtering, electron beam evaporation, laser ablation, cathodic arc, and pulsed laser deposition (PLD). Thin film technology offers a luc...

Research paper thumbnail of A Mini Review on Thin Film Superconductors

Processes

Thin superconducting films have been a significant part of superconductivity research for more th... more Thin superconducting films have been a significant part of superconductivity research for more than six decades. They have had a significant impact on the existing consensus on the microscopic and macroscopic nature of the superconducting state. Thin-film superconductors have properties that are very different and superior to bulk material. Amongst the various classification criteria, thin-film superconductors can be classified into Fe based thin-film superconductors, layered titanium compound thin-film superconductors, intercalation compounds of layered and cage-like structures, and other thin-film superconductors that do not fall into these groups. There are various techniques of manufacturing thin films, which include atomic layer deposition (ALD), chemical vapour deposition (CVD), physical vapour deposition (PVD), molecular beam epitaxy (MBE), sputtering, electron beam evaporation, laser ablation, cathodic arc, and pulsed laser deposition (PLD). Thin film technology offers a luc...

Research paper thumbnail of A review of atomic layer deposition modelling and simulation methodologies: Density functional theory and molecular dynamics

Nanotechnology Reviews, 2022

The use of computational modelling and simulation methodologies has grown in recent years as rese... more The use of computational modelling and simulation methodologies has grown in recent years as researchers try to understand the atomic layer deposition (ALD) process and create new microstructures and nanostructures. This review article explains and simplifies two simulation methodologies, molecular dynamics and the density functional theory (DFT), in solving atomic layer deposition problems computationally. We believe that these simulation methodologies are powerful tools that can be utilised in atomic layer deposition. DFT is used to solve problems in surface science and catalysis (predicting surface energy, adsorption energy, charge transfer, etc.), semiconductors (band structure, defect bands, band gap, etc.), superconductors (electron–phonon coupling, critical transition temperature), and molecular electronics (conductance, current–voltage characteristics). Molecular dynamics (MD) is used to predict the kinetic and thermodynamic properties of a material. Of interest in this arti...

Research paper thumbnail of Investigation of Photoelectric properties, substrate effects and structural identification of layered Rutile Titanium Oxide with ꭓ3 of borophene using Density Functional Theory

Research paper thumbnail of A Mini Review on Thin Film Superconductors

Processes

Thin superconducting films have been a significant part of superconductivity research for more th... more Thin superconducting films have been a significant part of superconductivity research for more than six decades. They have had a significant impact on the existing consensus on the microscopic and macroscopic nature of the superconducting state. Thin-film superconductors have properties that are very different and superior to bulk material. Amongst the various classification criteria, thin-film superconductors can be classified into Fe based thin-film superconductors, layered titanium compound thin-film superconductors, intercalation compounds of layered and cage-like structures, and other thin-film superconductors that do not fall into these groups. There are various techniques of manufacturing thin films, which include atomic layer deposition (ALD), chemical vapour deposition (CVD), physical vapour deposition (PVD), molecular beam epitaxy (MBE), sputtering, electron beam evaporation, laser ablation, cathodic arc, and pulsed laser deposition (PLD). Thin film technology offers a luc...

Research paper thumbnail of A Mini Review on Thin Film Superconductors

Processes

Thin superconducting films have been a significant part of superconductivity research for more th... more Thin superconducting films have been a significant part of superconductivity research for more than six decades. They have had a significant impact on the existing consensus on the microscopic and macroscopic nature of the superconducting state. Thin-film superconductors have properties that are very different and superior to bulk material. Amongst the various classification criteria, thin-film superconductors can be classified into Fe based thin-film superconductors, layered titanium compound thin-film superconductors, intercalation compounds of layered and cage-like structures, and other thin-film superconductors that do not fall into these groups. There are various techniques of manufacturing thin films, which include atomic layer deposition (ALD), chemical vapour deposition (CVD), physical vapour deposition (PVD), molecular beam epitaxy (MBE), sputtering, electron beam evaporation, laser ablation, cathodic arc, and pulsed laser deposition (PLD). Thin film technology offers a luc...

Research paper thumbnail of A review of atomic layer deposition modelling and simulation methodologies: Density functional theory and molecular dynamics

Nanotechnology Reviews, 2022

The use of computational modelling and simulation methodologies has grown in recent years as rese... more The use of computational modelling and simulation methodologies has grown in recent years as researchers try to understand the atomic layer deposition (ALD) process and create new microstructures and nanostructures. This review article explains and simplifies two simulation methodologies, molecular dynamics and the density functional theory (DFT), in solving atomic layer deposition problems computationally. We believe that these simulation methodologies are powerful tools that can be utilised in atomic layer deposition. DFT is used to solve problems in surface science and catalysis (predicting surface energy, adsorption energy, charge transfer, etc.), semiconductors (band structure, defect bands, band gap, etc.), superconductors (electron–phonon coupling, critical transition temperature), and molecular electronics (conductance, current–voltage characteristics). Molecular dynamics (MD) is used to predict the kinetic and thermodynamic properties of a material. Of interest in this arti...

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