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- Publisher Website: 10.1016/j.jallcom.2019.05.017
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Article: First principles investigation of Be3X2 (X=N, P, As) and their alloys for solar cell applications
Title | First principles investigation of Be3X2 (X=N, P, As) and their alloys for solar cell applications |
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Authors | |
Keywords | Beryllium nitride alloys Optical spectra Device absorption efficiencies |
Issue Date | 2019 |
Publisher | Elsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/jallcom |
Citation | Journal of Alloys and Compounds, 2019, v. 795, p. 385-390 How to Cite? |
Abstract | The ground state electronic structure and absorption efficiency of α-Be3X2 (X = N, P or As)and their alloys are investigated using density functional theory. All pristine compounds and alloys are found to have direct band gaps at the zone center Γ point. The Be24PxN16-x and Be24AsxN16-x alloys (x = 4, 8, 12, or 16)are predicted to have suitable band gaps for solar absorber applications. The majority interband electronic transitions in the pristine compounds and the alloys are between the valence band p-states of N, P and As and the conduction band p-states of Be. The alloy systems show strong and wide absorption spectra, suggesting potential solar energy conversion applications. |
Persistent Identifier | http://hdl.handle.net/10722/272251 |
ISSN | 2023 Impact Factor: 5.8 2023 SCImago Journal Rankings: 1.103 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Ullah, M | - |
dc.contributor.author | Ali, R | - |
dc.contributor.author | Murtaza, G | - |
dc.contributor.author | Chen, Y | - |
dc.date.accessioned | 2019-07-20T10:38:38Z | - |
dc.date.available | 2019-07-20T10:38:38Z | - |
dc.date.issued | 2019 | - |
dc.identifier.citation | Journal of Alloys and Compounds, 2019, v. 795, p. 385-390 | - |
dc.identifier.issn | 0925-8388 | - |
dc.identifier.uri | http://hdl.handle.net/10722/272251 | - |
dc.description.abstract | The ground state electronic structure and absorption efficiency of α-Be3X2 (X = N, P or As)and their alloys are investigated using density functional theory. All pristine compounds and alloys are found to have direct band gaps at the zone center Γ point. The Be24PxN16-x and Be24AsxN16-x alloys (x = 4, 8, 12, or 16)are predicted to have suitable band gaps for solar absorber applications. The majority interband electronic transitions in the pristine compounds and the alloys are between the valence band p-states of N, P and As and the conduction band p-states of Be. The alloy systems show strong and wide absorption spectra, suggesting potential solar energy conversion applications. | - |
dc.language | eng | - |
dc.publisher | Elsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/jallcom | - |
dc.relation.ispartof | Journal of Alloys and Compounds | - |
dc.subject | Beryllium nitride alloys | - |
dc.subject | Optical spectra | - |
dc.subject | Device absorption efficiencies | - |
dc.title | First principles investigation of Be3X2 (X=N, P, As) and their alloys for solar cell applications | - |
dc.type | Article | - |
dc.identifier.email | Chen, Y: yuechen@hku.hk | - |
dc.identifier.authority | Chen, Y=rp01925 | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1016/j.jallcom.2019.05.017 | - |
dc.identifier.scopus | eid_2-s2.0-85065246070 | - |
dc.identifier.hkuros | 298981 | - |
dc.identifier.volume | 795 | - |
dc.identifier.spage | 385 | - |
dc.identifier.epage | 390 | - |
dc.identifier.isi | WOS:000468903200043 | - |
dc.publisher.place | Netherlands | - |
dc.identifier.issnl | 0925-8388 | - |