Janus BrClM (M = Ti, Zr, Hf) monolayers: first-principles insights and a restricted-domain machine-learned potential analysis of band gaps, surface dipoles, and optical response across the Group IV–B series

Babar Ali, Ahsan Javed, Muhammad Ali, Zijing Lin

Open source

DOI
10.1039/d6cp03121h
Published
2026
Container
Physical Chemistry Chemical Physics
Publisher
Royal Society of Chemistry (RSC)
Open access
unknown

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BibTeX

@article{allodium:10.1039/d6cp03121h,
  title = {Janus BrClM (M = Ti, Zr, Hf) monolayers: first-principles insights and a restricted-domain machine-learned potential analysis of band gaps, surface dipoles, and optical response across the Group IV–B series},
  author = {Babar Ali and Ahsan Javed and Muhammad Ali and Zijing Lin},
  year = {2026},
  journal = {Physical Chemistry Chemical Physics},
  doi = {10.1039/d6cp03121h},
  url = {https://doi.org/10.1039/d6cp03121h}
}

RIS

TY  - JOUR
TI  - Janus BrClM (M = Ti, Zr, Hf) monolayers: first-principles insights and a restricted-domain machine-learned potential analysis of band gaps, surface dipoles, and optical response across the Group IV–B series
AU  - Babar Ali
AU  - Ahsan Javed
AU  - Muhammad Ali
AU  - Zijing Lin
PY  - 2026
JO  - Physical Chemistry Chemical Physics
DO  - 10.1039/d6cp03121h
UR  - https://doi.org/10.1039/d6cp03121h
ER  - 

APA

Ali, B., Javed, A., Ali, M., & Lin, Z. (2026). Janus BrClM (M = Ti, Zr, Hf) monolayers: first-principles insights and a restricted-domain machine-learned potential analysis of band gaps, surface dipoles, and optical response across the Group IV–B series. Physical Chemistry Chemical Physics. https://doi.org/10.1039/d6cp03121h

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