Cation substitution varieties of I-II2-III-VI4 semiconductors and their effects on electronic and phononic properties

L Ma, W Shi, LM Woods - Journal of Alloys and Compounds, 2023 - Elsevier
Quaternary chalcogenides from the semiconducting I-II 2-III-VI 4 class of systems are
relatively unexplored in terms of their electronic and vibrational properties. These multinary …

Structural diversity of CuZn 2 InSe 4 quaternary chalcogenides: electronic and phonon properties from first principles

L Ma, W Shi, LM Woods - RSC advances, 2022 - pubs.rsc.org
First principles simulations are utilized to calculate the electronic and vibrational properties
of several metastable structural phases of the CuZn2InSe4 quaternary chalcogenide …

[HTML][HTML] Electronic structure properties of CuZn2InTe4 and AgZn2InTe4 quaternary chalcogenides

W Shi, AR Khabibullin, D Hobbis, GS Nolas… - Journal of Applied …, 2019 - pubs.aip.org
Quaternary chalcogenides composed of earth-abundant and primarily nontoxic constituents
are currently being explored for thermoelectric applications. The representatives of this …

Vibrational properties and thermal transport in quaternary chalcogenides: The case of Te-based compositions

W Shi, T Pandey, L Lindsay, LM Woods - Physical Review Materials, 2021 - APS
Vibrational thermal properties of Cu Zn 2 In Te 4, Ag Zn 2 In Te 4, and Cu 2 CdSn Te 4,
derived from binary II-VI zinc-blendes, are reported based on first-principles calculations …

Synthesis, transport properties and electronic structure of p-type Cu 1+ x Mn 2− x InTe 4 (x= 0, 0.2, 0.3)

D Hobbis, W Shi, A Popescu, K Wei… - Dalton …, 2020 - pubs.rsc.org
The synthesis, electronic structure and temperature dependent transport properties of
polycrystalline Cu1+ xMn2− xInTe4 (x= 0, 0.2, 0.3) are reported for the first time. These …

Synthesis, structure, electronic and thermal properties of sphalerite CuZn 2 InS 4

OP Ojo, WDCB Gunatilleke, H Poddig, H Wang… - Dalton …, 2021 - pubs.rsc.org
Quaternary chalcogenides continue to be of interest due to the variety of physical properties
they possess, as well as their potential for different applications of interest. Investigations on …

Insights into the optoelectronic, thermodynamic, and thermoelectric properties of novel BaYCuX3 (X= Se, Te) semiconductors from first-principles investigation

MS Khan, B Gul, AS Mohamed, G Benabdellah… - Materials Science in …, 2024 - Elsevier
The widely used density functional theory was employed to study an intricate relationship of
the optoelectronic, thermodynamic, and transport features of novel quaternary BaYCuX 3 …

Exploring Phase Stability and Properties of I‐II2‐III‐VI4 Quaternary Chalcogenides

W Shi, AR Khabibullin… - Advanced Theory and …, 2020 - Wiley Online Library
A recently discovered class of quaternary chalcogenides with the I‐II2‐III‐VI4 (I= Cu, Ag; II=
Zn, Cd; III= Al, Ga, In; VI= S, Se, Te) chemical formula is considered using electronic …

ThCr2Si2-type quaternary chalcogenides as efficient Pt-free counter electrodes for dye-sensitized solar cells

G Zhang, M Zhu, L Zhai, J Cao, Z Gao… - Journal of Alloys and …, 2020 - Elsevier
Two quaternary chalcogenides of ThCr 2 Si 2-type K 2 FeCu 3 Q 4 (Q for S and Se) were
utilized as new type of Pt-free counter electrodes (CEs) for dye-sensitized solar cells …

CuZn 2 InTe 4 quantum dots-a novel nanostructure employing a green synthesis route

L Kuriakose, NJ Simi, VV Ison - RSC advances, 2020 - pubs.rsc.org
We report the synthesis and characterisation of novel CuZn2InTe4 quantum dots (QDs)
suitable for various optoelectronic applications. The nanostructures grown are …