Recent developments in p‐Type oxide semiconductor materials and devices
Z Wang, PK Nayak, JA Caraveo‐Frescas… - Advanced …, 2016 - Wiley Online Library
The development of transparent p‐type oxide semiconductors with good performance may
be a true enabler for a variety of applications where transparency, power efficiency, and …
be a true enabler for a variety of applications where transparency, power efficiency, and …
A DFT study of structural and electronic properties of cubic thallium based fluoroperovskites TlBF3 (BGe, Sn, Pb, Zn, Cd, Hg, Mg, Ca, Sr, Ba)
RK Pingak - Computational Condensed Matter, 2022 - Elsevier
This study aims to use Density Functional Theory (DFT) to investigate structural and
electronic properties of cubic fluoroperovskites TlBF 3 (B= Ge, Sn, Pb, Zn, Cd, Hg, Mg, Ca …
electronic properties of cubic fluoroperovskites TlBF 3 (B= Ge, Sn, Pb, Zn, Cd, Hg, Mg, Ca …
Electronic and optical properties of Mg3XN (X= P, As, Sb, Bi) antiperovskites: The GW/BSE approach
E Oyeniyi - Solid State Communications, 2022 - Elsevier
Antiperovskites (APs) have several potential applications. Methods based on Density
Functional Theory (DFT) have been applied to study the properties of APs. In this work …
Functional Theory (DFT) have been applied to study the properties of APs. In this work …
Insight into the Structural, Electronic, Elastic, Optical, and Magnetic Properties of Cubic Fluoroperovskites ABF3 (A = Tl, B = Nb, V) Compounds: Probed by DFT
This work displays the structural, electronic, elastic, optical, and magnetic properties in spin-
polarized configurations for cubic fluoroperovskite ABF 3 (A= Tl, B= Nb, V) compounds …
polarized configurations for cubic fluoroperovskite ABF 3 (A= Tl, B= Nb, V) compounds …
New semiconducting K2MgSiH6 (H = Cl & Br) halides have been investigated via DFT approach; their mechanical, optical, and structural properties were studied …
Researchers are now avoiding perovskite materials containing lead due to their toxicity and
instability in open air and heat. In this study, our research group worked on potassium-based …
instability in open air and heat. In this study, our research group worked on potassium-based …
Quantum capacitance of MCo2O4 (M= Co, Zn, Mn, and Cr) electrode materials for supercapacitor applications: Insights from first principles calculations
Cation substitution is a promising approach to modulate the structural properties and
optimize the capacitive performance of cobalt oxide (Co 3 O 4). Herein, a systematic …
optimize the capacitive performance of cobalt oxide (Co 3 O 4). Herein, a systematic …
Enhanced thermal stability of polystyrene by graphitic carbon nitride/spinel ZnCo 2 O 4 nanohybrids and the catalytic mechanism investigation
Spinel ZnCo2O4 has shown great superiorities in the fields of catalyst and energy. However,
its applications in improving thermal stability of polymeric materials are rarely reported. In …
its applications in improving thermal stability of polymeric materials are rarely reported. In …
Optical properties of ideal γ-Al 2 O 3 and with oxygen point defects: an ab initio study
H Papi, S Jalali-Asadabadi, A Nourmohammadi… - RSC Advances, 2015 - pubs.rsc.org
The optical properties of pure γ-Al2O3 and in the presence of oxygen point defects are
investigated by the density functional theory approach using the PBE-GGA and TB-mBJ …
investigated by the density functional theory approach using the PBE-GGA and TB-mBJ …
Enhancing Perovskite Solar Cells Performance Through Investigation of Ruddlesden–Popper (2D) Cs2GeI2Br2 and (3D) CsGeI2Br Absorbers
Ruddlesden–Popper (RP) perovskite materials are gaining traction in optoelectronic
applications due to their unique structure and adjustable properties. This study investigates …
applications due to their unique structure and adjustable properties. This study investigates …
Enchanting optical, electronic, and mechanical properties of the sodium based Na2MgSiZ6 (Z= I, Br, Cl) halides have been explored through DFT
Materials. with perovskite structures have been extensively studied due to their remarkable
properties, which are important in various aspects of daily life. In the present approach, Na 2 …
properties, which are important in various aspects of daily life. In the present approach, Na 2 …