Cargando…

Zirconium-based cubic-perovskite materials for photocatalytic solar cell applications: a DFT study

The structural, electronic, optical, and mechanical characteristics of the cubic inorganic perovskites XZrO(3) (X = Rb and K) based on Rb and K were studied using Cambridge Serial Total Energy Package (CASTEP)-based density functional theory (DFT) via the ultrasoft pseudo-potential (USP) plane wave...

Descripción completa

Detalles Bibliográficos
Autores principales:	Shahzad, Muhammad Khuram, Mujtaba, Syed Taqveem, Hussain, Shoukat, Rehman, Jalil Ur, Farooq, Muhammad Umair, Khan, Muhammad Aslam, Tahir, Muhammad Bilal, Mahmood, Muhammad Ali
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9514018/ https://www.ncbi.nlm.nih.gov/pubmed/36276033 http://dx.doi.org/10.1039/d2ra03218j

Ejemplares similares

Lithium-based perovskites materials for photovoltaic solar cell and protective rays window applications: a first-principle calculations
por: Shahzad, Muhammad Khuram, et al.
Publicado: (2023)

First-principles calculations to investigate structural, electronic, elastic and optical properties of radium based cubic fluoro-perovskite materials
por: Shahzad, Muhammad Khuram, et al.
Publicado: (2023)

Investigation of structural, electronic, mechanical, & optical characteristics of Ra based-cubic hydrides RbRaX(3) (X= F and cl) perovskite materials for solar cell applications: First principle study
por: Shahzad, Muhammad Khuram, et al.
Publicado: (2023)

Analysis of XGaO(3) (X = Ba and Cs) cubic based perovskite materials for photocatalytic water splitting applications: a DFT study
por: Asiri, Abdullah M., et al.
Publicado: (2023)

Autohydration of Nanosized Cubic Zirconium Tungstate
por: Banek, Nathan A., et al.
Publicado: (2010)

Entrepreneurial Leadership and Employees’ Proactive Behaviour: Fortifying Self Determination Theory
por: Bilal, Muhammad, et al.
Publicado: (2021)

Construction of optical solitons of magneto-optic waveguides with anti-cubic law nonlinearity
por: Asjad, Muhammad Imran, et al.
Publicado: (2021)

Synthesis and Biomedical Applications of Zirconium Nanoparticles: Advanced Leaps and Bounds in the Recent Past
por: Arshad, Hafiz Muhammad, et al.
Publicado: (2022)

Topological Characterization of Carbon Graphite and Crystal Cubic Carbon Structures
por: Gao, Wei, et al.
Publicado: (2017)

Visible light-driven photocatalytic bacterial inactivation on PPE, supported by the DFT and bactericidal study
por: Ahmed, Gulzar, et al.
Publicado: (2023)

Novel perovskite solar cell with Distributed Bragg Reflector
por: Farooq, Waqas, et al.
Publicado: (2021)

Rational Design of Broadly Absorbing Boron Dipyrromethene-Carbazole Dyads for Dye-Sensitized Solar Cells: A DFT Study
por: Rahman, Ata Ur, et al.
Publicado: (2021)

Mesoporous Cu-Doped Manganese Oxide Nano Straws for Photocatalytic Degradation of Hazardous Alizarin Red Dye
por: Hamza, Muhammad, et al.
Publicado: (2023)

Evaluation of Antimicrobial, Anticholinesterase Potential of Indole Derivatives and Unexpectedly Synthesized Novel Benzodiazine: Characterization, DFT and Hirshfeld Charge Analysis
por: Raza, Abdul Rauf, et al.
Publicado: (2023)

An Ex Vivo Study of Wireless Linkage Distance between Implantable LC Resonance Sensor and External Readout Coil
por: Farooq, Muhammad, et al.
Publicado: (2022)

Acute myeloid leukemia post-allogeneic peripheral stem cell transplant with gastric chloroma
por: Ur Rehman, Jalil, et al.
Publicado: (2011)

Electrosprayed Polymer-Hybridized Multidoped ZnO Mesoscopic Nanocrystals Yield Highly Efficient and Stable Perovskite Solar Cells
por: Mahmood, Khalid, et al.
Publicado: (2018)

Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives
por: Ashfaq, Muhammad, et al.
Publicado: (2021)

Influence of VO(2) based structures and smart coatings on weather resistance for boosting the thermochromic properties of smart window applications
por: Shahzad, Muhammad Khuram, et al.
Publicado: (2022)

Development of neutrosophic cubic hesitant fuzzy exponential aggregation operators with application in environmental protection problems
por: Rehman, Ateeq Ur, et al.
Publicado: (2023)

Propagation of the pure-cubic optical solitons and stability analysis in the absence of chromatic dispersion
por: Younas, Usman, et al.
Publicado: (2021)

Controlling the Wettability of ZnO Thin Films by Spray Pyrolysis for Photocatalytic Applications
por: Rabeel, Muhammad, et al.
Publicado: (2022)

Optimizing Cardiac Wireless Implant Communication: A Feasibility Study on Selecting the Frequency and Matching Medium
por: Amin, Bilal, et al.
Publicado: (2023)

Fabrication of Ternary MoS(2)/CdS/Bi(2)S(3)-Based Nano Composites for Photocatalytic Dye Degradation
por: Nazir, Asif, et al.
Publicado: (2023)

Mineral biofortification of vegetables through soil-applied poultry mortality compost
por: Mubarak, Muhammad Umair, et al.
Publicado: (2022)

Fabrication of ternary metal oxide (ZnO:NiO:CuO) nanocomposite heterojunctions for enhanced photocatalytic and antibacterial applications
por: Ishaque, Muhammad Zahid, et al.
Publicado: (2023)

Photocatalysis and perovskite oxide-based materials: a remedy for a clean and sustainable future
por: Irshad, Muneeb, et al.
Publicado: (2022)

Two-step method for rapid isolation of genomic DNA and validation of R81T insecticide resistance mutation in Myzus persicae
por: Sial, Muhammad Umair, et al.
Publicado: (2023)

Synthesis, Crystal Structure, DFT Calculations, Hirshfeld Surface Analysis and In Silico Drug-Target Profiling of (R)-2-(2-(1,3-Dioxoisoindolin-2-yl)propanamido)benzoic Acid Methyl Ester
por: Rubab, Syeda Laila, et al.
Publicado: (2023)

Investigation on optical temperature sensing behaviour via Ag island-enhanced luminescence doped β-NaGdF(4):Yb(3+)/Tm(3+) films/microfibers
por: Shahzad, Muhammad Khuram, et al.
Publicado: (2021)

Plant Adaptation to Flooding Stress under Changing Climate Conditions: Ongoing Breakthroughs and Future Challenges
por: Aslam, Amna, et al.
Publicado: (2023)

Perceptions of oncology as a career choice among the early career doctors in Pakistan
por: Aemaz Ur Rehman, Muhammad, et al.
Publicado: (2022)

Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV–Vis) Characterization, and Quantum Chemical Analysis
por: Basri, Rabia, et al.
Publicado: (2020)

Clinical Genetics of Polydactyly: An Updated Review
por: Umair, Muhammad, et al.
Publicado: (2018)

Homozygous Missense Variant in the Solute Carrier Organic Anion Transporter 2A1 (SLCO2A1) Gene Underlies Isolated Nail Clubbing
por: Umair, Muhammad, et al.
Publicado: (2023)

Polymer Microfibers Incorporated with Silver Nanoparticles: a New Platform for Optical Sensing
por: Shahzad, Muhammad Khuram, et al.
Publicado: (2019)

Correction to: Polymer Microfibers Incorporated with Silver Nanoparticles: a New Platform for Optical Sensing
por: Shahzad, Muhammad Khuram, et al.
Publicado: (2019)

The impact of horse purslane (Trianthema portulacastrum L.) infestation on soybean [Glycine max (L.) Merrill] productivity in northern irrigated plains of Pakistan
por: Mubeen, Khuram, et al.
Publicado: (2021)

Impact of Exogenous Xylanase and Phytase, Individually or in Combination, on Performance, Digesta Viscosity and Carcass Characteristics in Broiler Birds Fed Wheat-Based Diets
por: Anwar, Urooj, et al.
Publicado: (2023)

Effects of Zirconium Doping Into a Monoclinic Scheelite BiVO(4) Crystal on Its Structural, Photocatalytic, and Photoelectrochemical Properties
por: Ikeda, Shigeru, et al.
Publicado: (2018)

Cannot write session to /tmp/vufind_sessions/sess_g4e2j6oca8i8amtdv13negapho