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Investigation of heavy thallium perovskites TlGeX3 (X= Cl, Br and I) for optoelectronic and thermoelectric applications: A DFT study
The present investigation aims to explore the structural, electronic, elastic, optical and
thermoelectric properties of germanium-based heavy thallium halide perovskites TlGeX 3 …
thermoelectric properties of germanium-based heavy thallium halide perovskites TlGeX 3 …
A DFT investigation of lead-free TlSnX 3 (X= Cl, Br, or I) perovskites for potential applications in solar cells and thermoelectric devices
In the present study, the Density Functional Theory (DFT) was employed to computationally
investigate the potential application of newly developed lead-free perovskites with the …
investigate the potential application of newly developed lead-free perovskites with the …
Investigation of structural, electronic, elastic and optical properties of Ge-halide perovskites NaGeX3 (X= Cl, Br and I): A first-principles DFT study
Lead-free perovskites are among materials that are currently most investigated for their
potential application in photovoltaic and optoelectronic applications due to their non-toxic …
potential application in photovoltaic and optoelectronic applications due to their non-toxic …
Lead-free perovskites InSnX3 (X= Cl, Br, I) for solar cell applications: a DFT study on the mechanical, optoelectronic, and thermoelectric properties
This study aims to explore for the first time the mechanical, electronic, optical and
thermoelectric properties of cubic lead-free perovskites InSnBr 3 and InSnI 3 to investigate …
thermoelectric properties of cubic lead-free perovskites InSnBr 3 and InSnI 3 to investigate …
First-principles calculations to investigate lead-free double perovskites CsInSbAgX6 (X= Cl, Br and I) for optoelectronic and thermoelectric applications
In this study, novel lead-free double perovskites CsInSbAgX 6 (X= Cl, Br and I) are proposed
and theoretically investigated for the first time for their potential application in optoelectronic …
and theoretically investigated for the first time for their potential application in optoelectronic …
Ab initio study of structural, elastic, electronic, optical and thermoelectric properties of cubic Ge-based fluoroperovskites AGeF3 (A= K, Rb and Fr)
Structural, elastic, electronic, optical and thermoelectric properties of fluoroperovskites AGeF
3 (A= K, Rb, and Fr) have been investigated using Density Functional Theory (DFT) …
3 (A= K, Rb, and Fr) have been investigated using Density Functional Theory (DFT) …
Structural, electronic, elastic, and optical properties of cubic BaLiX 3 (X= F, Cl, Br, or I) perovskites: an ab-initio DFT study
This study reports for the first time the theoretical prediction of structural, electronic, elastic
and optical properties of cubic BaLiCl 3, BaLiBr 3, and BaLiI 3 perovskites. The …
and optical properties of cubic BaLiCl 3, BaLiBr 3, and BaLiI 3 perovskites. The …
Vacancy-ordered CsRbGeCl6 and CsRbGeBr6 perovskites as new promising non-toxic materials for photovoltaic applications: a DFT investigation
In this study, we have proposed novel vacancy-ordered double perovskites, CsRbGeCl 6
and CsRbGeBr 6, and conducted computational analyses to investigate their mechanical …
and CsRbGeBr 6, and conducted computational analyses to investigate their mechanical …
Novel vacancy-ordered RbKGeCl6 and RbKGeBr6 double perovskites for optoelectronic and thermoelectric applications: an ab-initio DFT study
The present study examines the key characteristics of new vacancy-ordered halide double
perovskites, RbKGeCl 6 and RbKGeBr 6, encompassing the elastic, structural, mechanical …
perovskites, RbKGeCl 6 and RbKGeBr 6, encompassing the elastic, structural, mechanical …
Lead-free perovskites TlGeClxBr3-x (x= 0, 1, 2, 3) as promising materials for solar cell application: a DFT study
This study investigates the structural parameters and the electronic properties of cubic
TlGeCl x Br 3-x (x= 0, 1, 2, 3) lead-free perovskites to evaluate their potential as absorbers in …
TlGeCl x Br 3-x (x= 0, 1, 2, 3) lead-free perovskites to evaluate their potential as absorbers in …