Strategic review of secondary phases, defects and defect-complexes in kesterite CZTS–Se solar cells
Earth abundant kesterite copper-zinc-tin-sulfide–selenide (CZTS–Se) is considered as cost-
effective material for next generation solar cells. However, current CZTS–Se solar cells have …
effective material for next generation solar cells. However, current CZTS–Se solar cells have …
Computational materials design of crystalline solids
The modelling of materials properties and processes from first principles is becoming
sufficiently accurate as to facilitate the design and testing of new systems in silico …
sufficiently accurate as to facilitate the design and testing of new systems in silico …
Lattice dynamics of the tin sulphides SnS 2, SnS and Sn 2 S 3: vibrational spectra and thermal transport
We present an in-depth first-principles study of the lattice dynamics of the tin sulphides
SnS2, Pnma and π-cubic SnS and Sn2S3. An analysis of the harmonic phonon dispersion …
SnS2, Pnma and π-cubic SnS and Sn2S3. An analysis of the harmonic phonon dispersion …
Defect characterisation in Cu 2 ZnSnSe 4 kesterites via resonance Raman spectroscopy and the impact on optoelectronic solar cell properties
Polycrystalline kesterite Cu2ZnSnSe4 (CZTSe) semiconductors have drawn attention as
promising absorber candidates for the next generation of thin film photovoltaics. However …
promising absorber candidates for the next generation of thin film photovoltaics. However …
Structural Polymorphism in “Kesterite” Cu2ZnSnS4: Raman Spectroscopy and First-Principles Calculations Analysis
M Dimitrievska, F Boero, AP Litvinchuk… - Inorganic …, 2017 - ACS Publications
This work presents a comprehensive analysis of the structural and vibrational properties of
the kesterite Cu2ZnSnS4 (CZTS, I 4̅ space group) as well as its polymorphs with the space …
the kesterite Cu2ZnSnS4 (CZTS, I 4̅ space group) as well as its polymorphs with the space …
First principles peierls-boltzmann phonon thermal transport: a topical review
L Lindsay - Nanoscale and Microscale Thermophysical …, 2016 - Taylor & Francis
The advent of coupled thermal transport calculations with interatomic forces derived from
density functional theory has ushered in a new era of fundamental microscopic insight into …
density functional theory has ushered in a new era of fundamental microscopic insight into …
Cu–Zn Cation Disorder in Kesterite Cu2ZnSn(SxSe1–x)4 Solar Cells
AY Zhu, RX Ding, HT Xu, CJ Tong… - ACS Energy …, 2024 - ACS Publications
Cu–Zn cation disorder plays a vital and controversial role in kesterite CuZnSn (S1–x Se x) 4
solar cells. We demonstrate using density functional theory and nonadiabatic molecular …
solar cells. We demonstrate using density functional theory and nonadiabatic molecular …
[HTML][HTML] Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors
We perform a systematic comparison of the finite-temperature structure and properties of
four bulk semiconductors (PbS, PbTe, ZnS, and ZnTe) predicted by eight popular exchange …
four bulk semiconductors (PbS, PbTe, ZnS, and ZnTe) predicted by eight popular exchange …
Ca 4 Sb 2 O and Ca 4 Bi 2 O: two promising mixed-anion thermoelectrics
The environmental burden of fossil fuels and the rising impact of global warming have
created an urgent need for sustainable clean energy sources. This has led to widespread …
created an urgent need for sustainable clean energy sources. This has led to widespread …
Positive role of inhibiting CZTSSe decomposition on intrinsic defects and interface recombination of 12.03% efficient kesterite solar cells
B Xu, X Qin, J Lin, J Chen, H Tong, R Qi, F Yue… - Solar …, 2022 - Wiley Online Library
Cu2ZnSn (S, Se) 4 (CZTSSe) solar cells, which are emerging as promising photovoltaic
devices, are currently suffering serious issues of large open‐circuit voltage deficit and low fill …
devices, are currently suffering serious issues of large open‐circuit voltage deficit and low fill …