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Optical investigation and computational modelling of BaTiO3 for optoelectronic devices applications
ABX3 perovskite-based materials have attracted research attention in various electronic and
optoelectronic applications. The ability to tune the energy band gap through various dopants …
optoelectronic applications. The ability to tune the energy band gap through various dopants …
Impact of Cr do** on the structural and optoelectronic properties of a CsPbIBr 2 perovskite solar cell
Metal halide perovskites, particularly the cesium lead iodide bromide (CsPbIBr2)
composition, have become more and more popular in solar applications because of their …
composition, have become more and more popular in solar applications because of their …
Enhancing Structure Stability by Mg/Cr Co‐Doped for High‐Voltage Sodium‐Ion Batteries
Abstract P2‐Na2/3Ni1/3Mn2/3O2 cathode materials have garnered significant attention due
to their high cationic and anionic redox capacity under high voltage. However, the challenge …
to their high cationic and anionic redox capacity under high voltage. However, the challenge …
Effects of La-N Co-Do** of BaTiO3 on Its Electron-Optical Properties for Photocatalysis: A DFT Study
In cation–anion co-do**, rare earth elements excel at regulating the electronic structure of
perovskites, leading to their improved photocatalytic performance. In this regard, the impact …
perovskites, leading to their improved photocatalytic performance. In this regard, the impact …
First-principles investigations and Monte Carlo simulation of Ti and Cr-doped w-ZnO and (Ti, Cr) co-doped w-ZnO based magnetic semiconductors: Materials for …
This research paper investigates the electronic structure and magnetic properties of Ti-
doped ZnO (Zn 1− x Ti x O), Cr-doped ZnO (Zn 1− x Cr x O) and (Ti, Cr)-codoped ZnO (Zn 1 …
doped ZnO (Zn 1− x Ti x O), Cr-doped ZnO (Zn 1− x Cr x O) and (Ti, Cr)-codoped ZnO (Zn 1 …
[HTML][HTML] Influence of the Hubbard U Correction on the Electronic Properties and Chemical Bands of the Cubic (P m 3¯ m) Phase of SrTiO3 Using GGA/PBE and LDA …
By using DFT simulations employing the GGA/PBE and LDA/CA-PZ approximations, the
effects of the Hubbard U correction on the crystal structure, electronic properties, and …
effects of the Hubbard U correction on the crystal structure, electronic properties, and …
Overview of the Structural, Electronic and Optical Properties of the Cubic and Tetragonal Phases of PbTiO3 by Applying Hubbard Potential Correction
We have performed a systematic study resulting in detailed information on the structural,
electronic and optical properties of the cubic (P m 3¯ m) and tetragonal (P 4mm) phases of …
electronic and optical properties of the cubic (P m 3¯ m) and tetragonal (P 4mm) phases of …
Structural refinement, dielectric and ferroelectric properties of Cr modified Ba0· 90Sr0· 10TiO3 ceramics
In this study, we investigated the impact of Chromium substitution on the structural, dielectric
and ferroelectric characteristics of Ba 0· 90 Sr 0· 10 Ti 1-3x/4 Cr x O 3 (x= 0, 0.005, 0.010 …
and ferroelectric characteristics of Ba 0· 90 Sr 0· 10 Ti 1-3x/4 Cr x O 3 (x= 0, 0.005, 0.010 …
First-principles calculations to investigate impact of do** by chalcogen elements on the electronic, structural, and optical properties of SrTiO3 compounds
Do** techniques are commonly utilized to effectively modify the physical properties of a
desired compound. In this study, we employed the first-principles DFT calculations with a …
desired compound. In this study, we employed the first-principles DFT calculations with a …
Optimization of (Ba1− xCax)(Ti0. 9Sn0. 1) O3 ceramics in X-band using machine learning
Develo** efficient electromagnetic interference shielding materials has become
significantly important in present times. This paper reports a series of (Ba 1− x Ca x)(Ti 0.9 …
significantly important in present times. This paper reports a series of (Ba 1− x Ca x)(Ti 0.9 …