Copertina

Exploring Chalcogen Influence on Sc2BeX4 (X = S, Se) for Green Energy Applications Using DFT

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Ali, Ahmad, Haider, Haris, Azam, Sikander, Talha, Muhammad, Jawad, Muhammad, Shakir, Imran
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Materials Science Computational Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

High-Pressure DFT Study of BeX (X = S, Se, Te): Phonon Spectra, Optical Properties, and Thermodynamic Stability for Advanced Optoelectronic Applications
di: Shahzad, Muhammad, et al.
Pubblicazione: (2025)

Vanadium-Engineered Co2NiSe4 Nanomaterial: Coupled Thermoelectric, Piezoelectric, and Electronic Optimization via DFT+U for Advanced Energy Applications
di: Riaz, Ayesha, et al.
Pubblicazione: (2025)

Rare-Earth Engineering of NaAlO3 Perovskites Unlocks Unified Optoelectronic, Thermoelectric, and Spintronic Functionalities
di: Imran, Muhammad, et al.
Pubblicazione: (2025)

Tailoring the Optoelectronic, Photocatalytic, Thermoelectric and Thermodynamic Properties of Halides Li2InBiX6 (X = Cl, Br, I) for Energy Conversion: A DFT Study
di: Alburaih, Huda A., et al.
Pubblicazione: (2026)

Hexagonal BeX (X: S, Te) monolayer as potential electrode material for alkali metal-ion batteries: A DFT perspective
di: Jadav, Hetvi, et al.
Pubblicazione: (2025)

Illuminating Stability and Spectral Shifts: A DFT+U Study of Eu-Doped ZnWO$_4$ for Visible-Light Optoelectronics
di: Tayyab, Muhammad, et al.
Pubblicazione: (2025)

Structural, Optoelectronic, Thermoelectric, and Mechanical Properties of Orthorhombic RbAgX (X = S, Se, Te) Chalcogenides: A First‐Principles Study
di: Faiq Umar, et al.
Pubblicazione: (2026)

Exploring the Electronic, Thermoelectric, and Optical Properties of AsRhX (X = S, Se, Te) Materials for Energy Conversion Applications
di: Faiq Umar, et al.
Pubblicazione: (2026)

Balancing Thermodynamics, Kinetics, and Reversibility in Ti-Doped MgB2H8: A First-Principles Assessment of a Practical Solid-State Hydrogen Storage Material
di: Azam, Sikander, et al.
Pubblicazione: (2026)

Defect-Engineered Multifunctionality in Cu-Doped Bi2Te2: Interplay of Thermoelectric, Piezoelectric, and Optoelectronic Properties from First-Principles Insights
di: Javed, Muhammad Usman, et al.
Pubblicazione: (2025)

A DFT Investigation of the Optoelectronic Properties of Sc 3+ ‐Based Halide Li 2 ScCuX 6 (X = F, Cl) Perovskites
di: Asghar Hussain, et al.
Pubblicazione: (2026)

Orbital-Engineered Spin Asymmetry and Multifunctionality in Eu-Activated CaAlSiN$_3$: A First-Principles Roadmap to Optical-Thermoelectric Fusion
di: Tayyab, Muhammad, et al.
Pubblicazione: (2025)

Band Structure Engineering, Optical, Transport, and Photocatalytic Properties of Pristine and Doped Nb3O7(OH): A Systematic DFT Study
di: Khan, Wilayat, et al.
Pubblicazione: (2025)

Amino Acids for Perovskite Light‐Emitting Diodes: Conformations, Mechanisms, and Applications
di: Amjad Islam, et al.
Pubblicazione: (2024)

Strain Modulated Electronic and Optical Properties of Laterally Stitched MoSi2N4/XSi2N4 (X=W, Ti) 2D Heterostructures
di: Hussain, Ghulam, et al.
Pubblicazione: (2022)

Engineering Multifunctional Response in Monolayer Fe3O4 via Zr Adsorption: From Half-Metallicity to Enhanced Piezoelectricity
di: Azam, Sikander, et al.
Pubblicazione: (2025)

Intermediate-Band Formation in Tm3+-doped Ca2SnO4: A Wide-Gap Oxide Host for Visible-Light Absorption and Energy Applications
di: Hussain, Shah, et al.
Pubblicazione: (2025)

Insights into the structural, electronic and optical properties of X$_2$MgZ$_4$($X=$ Sc, Y; $Z=$ S, Se) spinel compounds: Materials for the future optoelectronic applications
di: Murtaza, G.
Pubblicazione: (2020)

First-principles investigation of Rb$_{2}$CaH$_{4}$ and Cs-doped Rb$_{2}$CaH$_{4}$: unveiling their potential for hydrogen storage through mechanical and optoelectronic properties
di: Azam, Sikander, et al.
Pubblicazione: (2025)

Comprehensive DFT Study of Structural, Mechanical, Dynamical, Electronic, and Optical Properties of ZnX ( X = S, Se, Te) Semiconductors
di: N. Y. Tanisa, et al.
Pubblicazione: (2026)

Non‐Ti (M 2 X and M 3 X 2 ) MXenes for Energy Storage/Conversion
di: Iftikhar Hussain, et al.
Pubblicazione: (2024)

Exploring Double NDR Modulation and UV‐NIR Photodetection in MoS 2 /Sb 2 Se 3 Heterostructures
di: Muhammad Suleman, et al.
Pubblicazione: (2025)

Removal of Heavy Metals From Aqueous System Using 4‐Hydroxybenzaldehyde Macrocycles: A DFT Study
di: Muhammad Ismail, et al.
Pubblicazione: (2026)

X-Cross: Image Encryption Featuring Novel Dual-Layer Block Permutation and Dynamic Substitution Techniques
di: Ahsan, Hansa, et al.
Pubblicazione: (2025)

Dynamical stability and multifunctional properties of Ni2+/Pr3+ co-doped CsPbCl3 perovskite: insights from first-principles lattice dynamics and carrier transport
di: Azam, Sikander, et al.
Pubblicazione: (2026)

Exploring the Intracellular Distribution of Se Compounds Delivered by Biodegradable Polyelectrolyte Capsules Using X‐Ray Fluorescence Imaging
di: Marvin Skiba, et al.
Pubblicazione: (2024)

Infrared Photodetectors: Recent Advances and Challenges Toward Innovation for Image Sensing Applications
di: Muhammad Imran Saleem, et al.
Pubblicazione: (2024)

Unveiling the Multifunctional Features of Cs 2 LiMoX 6 (X = Cl and Br) for Green Energy Applications: A DFT Study
di: Ibad Ur Rehman, et al.
Pubblicazione: (2026)

Multifaceted Reductant for Buried Interface Modification of Tin‐Based Perovskite Solar Cells by Concurrently Suppressing Sn‐Oxidation and Facilitating Energy‐Alignment
di: Yuanchen Ma, et al.
Pubblicazione: (2025)

Corrosion Behavior of Dissimilar AA7075–AA2024 Friction Stir Welds: Effects of Tool Configuration, Pass Number, and Post‐Weld Heat Treatment
di: Afnan Haider Khan, et al.
Pubblicazione: (2026)

A Novel Approach for Tumor‐Released Methylated DNA Detection Using Molecularly Imprinted Polymers
di: Muhammad Babar Khawar, et al.
Pubblicazione: (2024)

Wafer scale reactive sputtering of highly oriented and ferroelectric Al$_{0.6}$Sc$_{0.4}$N from 300 mm AlSc Targets
di: Kreutzer, Tom-Niklas, et al.
Pubblicazione: (2025)

Spin Response Properties in Electronically Robust Ferromagnetic Strained $\text{CrSiSe}_3$ Monolayer under External Electric Fields
di: Solihin, S., et al.
Pubblicazione: (2026)

Private University Librarian's Experience on Procurement of Books in Bangladesh
di: Chowdhury, Muhammad Hossam Haider
Pubblicazione: (2011)

DFT mediated X2AuYZ6 (X= Cs, Rb; Z= Cl, Br, I) double Perovskites for photovoltaic and wasted heat management device applications
di: Mahmud, S., et al.
Pubblicazione: (2024)

Exploring the Physical Properties of LiBeX (X = Sb, Bi) Compounds via Ab Initio Approach
di: Muhammad Mazhar, et al.
Pubblicazione: (2024)

Toward Safe and Efficient Energy Storage: Progress and Challenges of Dendrite‐Free Sodium Metal Batteries
di: Wenbo Hou, et al.
Pubblicazione: (2026)

Strategic Fabrication of Au4Cu2 NC/ZIF‐8 Composite Via In Situ Integration Technique for Enhanced Energy Storage Applications
di: Muhammad Ahmad, et al.
Pubblicazione: (2024)

Strain effect on optical properties and quantum weight of monolayer MnBi$_2$X$_4$ (X = Te, Se, S)
di: Hung, Nguyen Tuan, et al.
Pubblicazione: (2025)

Designing Advanced LiTiXY (X, Y = O, S, Se, and Te) via DFT Engineering: Chalcogen Substitution Incorporation
di: Zahra Safari, et al.
Pubblicazione: (2026)