A-site cation engineering of lead-free M2NiCl6 (M = Na, K, Cs) vacancy-ordered double perovskites: first-principles insights into stability, band-gap tuning, excitonic behavior, and optical response.

Mia MH, Momin MA, Nath AD, Alhashmi Alamer F, Alsalmi O, Rasheduzzaman M, Hasan MZ.

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DOI: 10.1039/d6ra08772h
Published: 2026-10-09
Container: RSC Adv
Publisher: Not recorded
Open access: yes

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BibTeX

@article{allodium:10.1039/d6ra08772h,
  title = {A-site cation engineering of lead-free M\&lt;sub\&gt;2\&lt;/sub\&gt;NiCl\&lt;sub\&gt;6\&lt;/sub\&gt; (M = Na, K, Cs) vacancy-ordered double perovskites: first-principles insights into stability, band-gap tuning, excitonic behavior, and optical response.},
  author = {Mia MH and  Momin MA and  Nath AD and  Alhashmi Alamer F and  Alsalmi O and  Rasheduzzaman M and  Hasan MZ.},
  year = {2026},
  journal = {RSC Adv},
  doi = {10.1039/d6ra08772h},
  url = {https://doi.org/10.1039/d6ra08772h}
}

RIS

TY  - JOUR
TI  - A-site cation engineering of lead-free M&lt;sub&gt;2&lt;/sub&gt;NiCl&lt;sub&gt;6&lt;/sub&gt; (M = Na, K, Cs) vacancy-ordered double perovskites: first-principles insights into stability, band-gap tuning, excitonic behavior, and optical response.
AU  - Mia MH
AU  -  Momin MA
AU  -  Nath AD
AU  -  Alhashmi Alamer F
AU  -  Alsalmi O
AU  -  Rasheduzzaman M
AU  -  Hasan MZ.
PY  - 2026
JO  - RSC Adv
DO  - 10.1039/d6ra08772h
UR  - https://doi.org/10.1039/d6ra08772h
ER  -

APA

MH, M., MA, M., AD, N., F, A. A., O, A., M, R., & MZ., H. (2026). A-site cation engineering of lead-free M2NiCl6 (M = Na, K, Cs) vacancy-ordered double perovskites: first-principles insights into stability, band-gap tuning, excitonic behavior, and optical response.. RSC Adv. https://doi.org/10.1039/d6ra08772h

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europe-pmc · retrieved 2026-11-10T15:02:32.689Z
doaj · retrieved 2026-11-10T15:02:32.706Z

A-site cation engineering of lead-free M&lt;sub&gt;2&lt;/sub&gt;NiCl&lt;sub&gt;6&lt;/sub&gt; (M = Na, K, Cs) vacancy-ordered double perovskites: first-principles insights into stability, band-gap tuning, excitonic behavior, and optical response.

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A-site cation engineering of lead-free M<sub>2</sub>NiCl<sub>6</sub> (M = Na, K, Cs) vacancy-ordered double perovskites: first-principles insights into stability, band-gap tuning, excitonic behavior, and optical response.