Journal article

Ge 4s<sup>2</sup> lone pairs and band alignments in GeS and GeSe for photovoltaics

Abstract:: GeS and GeSe with Ge 4s 2 lone pairs shown in the structure and observed at the top of the valence band using hard and soft X-ray photoelectron spectroscopy combined with density functional theory.

Publication status:: Published

Peer review status:: Peer reviewed

Actions

Email

Email this record

Send the bibliographic details of this record to your email address.

Your Email
Please enter the email address that the record information will be sent to.

-
Your message (optional)
Please add any additional information to be included within the email.
Share
Cite

Cite this record

APA Style

Smiles, M. J., Skelton, J. M., Shiel, H., Jones, L. A. H., Swallow, J. E. N., Edwards, H. J., Murgatroyd, P. A. E., Featherstone, T. J., Thakur, P. K., Lee, T.-L., Dhanak, V. R., & Veal, T. D. (2021). Ge 4s<sup>2</sup> lone pairs and band alignments in GeS and GeSe for photovoltaics. Journal of Materials Chemistry A: Materials for Energy and Sustainability, 9(39), 22440–22452.

MLA Style

Smiles, MJ, et al. “Ge 4s<Sup>2</Sup> Lone Pairs and Band Alignments in GeS and GeSe for Photovoltaics.” Journal of Materials Chemistry A: Materials for Energy and Sustainability, vol. 9, no. 39, 2021, pp. 22440–52.

Chicago Style

Smiles, MJ, JM Skelton, H Shiel, et al. 2021. “Ge 4s<Sup>2</Sup> Lone Pairs and Band Alignments in GeS and GeSe for Photovoltaics.” Journal of Materials Chemistry A: Materials for Energy and Sustainability 9 (39): 22440–52.
Print

Access Document

Files:: Smiles_et_al_2021_Ge_4s<sup>2<_sup>_lone.pdf</sup>

(Preview, Version of record, pdf, 1.9MB, Terms of use)

Publisher copy:: 10.1039/d1ta05955f

Publication website:: http://livrepository.liverpool.ac.uk/3169250/1/201372198_Sep2022.pdf

Authors

+ Smiles, MJ More by this author

Role:: Author
ORCID:: 0000-0003-2530-5647

+ Skelton, JM More by this author

Role:: Author
ORCID:: 0000-0002-0395-1202

+ Shiel, H More by this author

Role:: Author
ORCID:: 0000-0002-0471-2713

+ Jones, LAH More by this author

Role:: Author
ORCID:: 0000-0002-4654-3882

+ Swallow, JEN More by this author

Institution:: University of Oxford
Role:: Author

More authors...

+ UK Research and Innovation More from this funder

Funder identifier:: 10.13039/100014013
Grant:: MR/T043121/1

+ Engineering and Physical Sciences Research Council More from this funder

Funder identifier:: 10.13039/501100000266
Grant:: EP/L000202

Publisher:: Royal Society of Chemistry
Journal:: Journal of Materials Chemistry A: materials for energy and sustainability More from this journal
Volume:: 9
Issue:: 39
Pages:: 22440-22452
Publication date:: 2021-10-12
DOI:: 10.1039/d1ta05955f
EISSN:: 2050-7496
ISSN:: 2050-7488

Language:: English
Keywords:: Molecule

Crystallography

Chemistry

Band gap

X-ray photoelectron spectroscopy

Nuclear magnetic resonance

Physics

Valence band

Quantum mechanics

Photovoltaic system

Materials science

Density functional theory

Biology

Atomic physics

Valence (chemistry)

Photovoltaics

Lone pair

Optoelectronics

Computational chemistry

Spectroscopy
Pubs id:: 1199231
Local pid:: pubs:1199231
Source identifiers:: W3200439076
Deposit date:: 2026-03-26
ARK identifier:: ark:/29072/ora_68fdef095d634d45b3f874a84255d907

Terms of use

Copyright date:: 2021

Licence:: CC Attribution (CC BY)

Views and Downloads

About views and downloads

If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP