First‐principles quantum analysis of promising double perovskites Z2SiF6 (Z = K, Li, Na, Rb) as prospective light harvesting materials: Optoelectronic, structural …

K Fatima, Z Abbas, F Butt, K Butt… - … Journal of Quantum …, 2023 - Wiley Online Library
For energy‐efficient and high‐power illumination systems, phosphor materials have
attracted huge research attention over the recent decades. Herein, applying the first …

Density-functional quantum analysis of optoelectronic, elastic, thermodynamic and hydrogen storage properties of AMgH3 (A= be, ca) perovskite-type hydrides …

Z Abbas, Z Zafar, HH Raza, A Parveen… - International Journal of …, 2024 - Elsevier
Hydrogen is a promising clean energy source to address the energy issue as well as the
environmental and health risks of current energy sources. Metal hydrides have …

Systematic study on the optoelectronic and elastic properties of Cu-based ternary chalcogenides: using ab-initio approach

M Abubakr, Z Abbas, S Rehman, NU Hassan… - Materials Science in …, 2023 - Elsevier
The first principles-based GGA approach is used to investigate the elastic and optoelectronic
properties of Cu-based ternary chalcogenides QCu 3 Te 4 (Q= Ta, V, Nb) to explore their …

Shedding light on the structural, optoelectronic, and thermoelectric properties of pyrochlore oxides (La2Q2O7 (Q= Ge, Sn)) for energy applications: A first-principles …

K Fatima, Z Abbas, A Naz, T Alshahrani, Y Chaib… - Journal of Solid State …, 2022 - Elsevier
This paper presents an analysis of the electronic, optical, and thermoelectric properties of
two newly designed pyrochlore oxides, La 2 Q 2 O 7 (Q​=​ Ge, Sn), based on first …

Enlightening the hydrostatic pressure variation effect on physical properties of mechanically stable La2Ge2O7 pyrochlore oxide: Insights from first principles for solar …

L Tariq, SH Mirza, MA Samhi, M Jawad, N Bano… - Physica B: Condensed …, 2025 - Elsevier
Herein this manuscript, we examine the structural, electronic, optical, elastic, mechanical,
and thermoelectric attributes of the La 2 Ge 2 O 7 under varying hydrostatic pressure (0–100 …

Effect of Nb, Ta and V replacements on electronic, optical and elastic properties of NbCu3Se4: A GGA+ U study

Z Abbas, N Jabeen, A Hussain, F Kabir… - Journal of Solid State …, 2021 - Elsevier
Abstract Development of efficient, renewable and eco-friendly energy sources is on rise and
is the main quest of the researchers to meet the energy challenges of future due to vanishing …

A DFT+ U study of the effect of transition metal replacements on optoelectronic and elastic properties of TmCu3S4 (Tm= V, Ta, Nb)

Z Abbas, K Fatima, M Abubakr, I Gorczyca… - Optik, 2022 - Elsevier
One of the main goals of researchers is to develop renewable, ecologic and efficient energy
sources to meet energy needs in the near future. In this context, chalcogenide materials are …

Review on Preparation of Perovskite Solar Cells by Pulsed Laser Deposition

X Lu, X Fan, H Zhang, Q Xu, M Ijaz - Inorganics, 2024 - mdpi.com
Pulsed laser deposition (PLD) is a simple and extremely versatile technique to grow thin
films and nanomaterials from a wide variety of materials. Compared to traditional fabrication …

First-principles calculations of structural, electronic, optical and thermoelectric properties of doped binary chalcogenides Sn1-xAxSe (A= Au and Ag) for energy …

Z Abbas, K Fatima, S Hussain, S Al-Qaisi… - Journal of Solid State …, 2023 - Elsevier
The first-principles based DFT calculations were used to investigate the effect of transition
metal (TM) do** on structural, electronic, optical and thermoelectric properties of Sn 1-x A …

An organic–inorganic hybrid K 2 TiF 6: Mn 4+ red-emitting phosphor with remarkable improvement of emission and luminescent thermal stability

Y Yu, L Wang, D Deng, X Zhong, J Qiang, T Wang… - RSC …, 2022 - pubs.rsc.org
A new type of monoethanolamine (MEA) and Mn4+ co-doped KTF: MEAH+, Mn4+ (K2TiF6:
0.1 MEAH+, 0.06 Mn4+) red emitting phosphor was synthesized by an ion exchange …