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Pyridinium lead tribromide and pyridinium lead triiodide : quasi-one-dimensional perovskites with an optically active aromatic π-system. / Selivanov, N. I.; Murashkina, A. A.; Kevorkyants, R.; Emeline, A. V.; Bahnemann, D. W.

In: Dalton transactions (Cambridge, England : 2003), Vol. 47, No. 45, 22.11.2018, p. 16313-16319.

Research output: Contribution to journal › Article › peer-review

Harvard

Selivanov, NI, Murashkina, AA, Kevorkyants, R, Emeline, AV & Bahnemann, DW 2018, 'Pyridinium lead tribromide and pyridinium lead triiodide: quasi-one-dimensional perovskites with an optically active aromatic π-system', Dalton transactions (Cambridge, England : 2003), vol. 47, no. 45, pp. 16313-16319. https://doi.org/10.1039/c8dt03041c

APA

Selivanov, N. I., Murashkina, A. A., Kevorkyants, R., Emeline, A. V., & Bahnemann, D. W. (2018). Pyridinium lead tribromide and pyridinium lead triiodide: quasi-one-dimensional perovskites with an optically active aromatic π-system. Dalton transactions (Cambridge, England : 2003), 47(45), 16313-16319. https://doi.org/10.1039/c8dt03041c

Vancouver

Selivanov NI, Murashkina AA, Kevorkyants R, Emeline AV, Bahnemann DW. Pyridinium lead tribromide and pyridinium lead triiodide: quasi-one-dimensional perovskites with an optically active aromatic π-system. Dalton transactions (Cambridge, England : 2003). 2018 Nov 22;47(45):16313-16319. https://doi.org/10.1039/c8dt03041c

Author

Selivanov, N. I. ; Murashkina, A. A. ; Kevorkyants, R. ; Emeline, A. V. ; Bahnemann, D. W. / Pyridinium lead tribromide and pyridinium lead triiodide : quasi-one-dimensional perovskites with an optically active aromatic π-system. In: Dalton transactions (Cambridge, England : 2003). 2018 ; Vol. 47, No. 45. pp. 16313-16319.

BibTeX

@article{fe7f1e4e9b3347819a450612ad516889,
title = "Pyridinium lead tribromide and pyridinium lead triiodide: quasi-one-dimensional perovskites with an optically active aromatic π-system",
abstract = "Two novel hybrid organic-inorganic perovskites, pyridinium lead tribromide and pyridinium lead triiodide, are prepared. Based on the XRD data, we find that the compounds are quasi-one-dimensional crystals of Pna21 symmetry. DFT calculations demonstrate that the valence band of the new compounds is comprised of the occupied p-orbitals of the halogen anions, while their conduction bands CB and CB + 1 are composed mainly of the unoccupied π-orbitals of the aromatic pyridinium rings. The computed DOS matches well with the recorded XPS spectra. The pyridinium lead tribromide and pyridinium lead triiodide absorption peaks derived from the experimental DRS are located at ∼3.1 eV and ∼2.4 eV, respectively. An agreement between the experimentally and theoretically predicted absorption spectra is found. The synthesized compounds extend the range of quasi-one-dimensional organometallic perovskites suitable for optical and possibly electronic applications.",
keywords = "INORGANIC-ORGANIC HYBRID, X-RAY-DIFFRACTION, HALIDE PEROVSKITES, HYPERVALENT BOND, PHASE-TRANSITION, CRYSTAL, EXCITONS",
author = "Selivanov, {N. I.} and Murashkina, {A. A.} and R. Kevorkyants and Emeline, {A. V.} and Bahnemann, {D. W.}",
year = "2018",
month = nov,
day = "22",
doi = "10.1039/c8dt03041c",
language = "English",
volume = "47",
pages = "16313--16319",
journal = "Dalton Transactions",
issn = "1477-9226",
publisher = "Royal Society of Chemistry",
number = "45",

}

RIS

TY - JOUR

T1 - Pyridinium lead tribromide and pyridinium lead triiodide

T2 - quasi-one-dimensional perovskites with an optically active aromatic π-system

AU - Selivanov, N. I.

AU - Murashkina, A. A.

AU - Kevorkyants, R.

AU - Emeline, A. V.

AU - Bahnemann, D. W.

PY - 2018/11/22

Y1 - 2018/11/22

N2 - Two novel hybrid organic-inorganic perovskites, pyridinium lead tribromide and pyridinium lead triiodide, are prepared. Based on the XRD data, we find that the compounds are quasi-one-dimensional crystals of Pna21 symmetry. DFT calculations demonstrate that the valence band of the new compounds is comprised of the occupied p-orbitals of the halogen anions, while their conduction bands CB and CB + 1 are composed mainly of the unoccupied π-orbitals of the aromatic pyridinium rings. The computed DOS matches well with the recorded XPS spectra. The pyridinium lead tribromide and pyridinium lead triiodide absorption peaks derived from the experimental DRS are located at ∼3.1 eV and ∼2.4 eV, respectively. An agreement between the experimentally and theoretically predicted absorption spectra is found. The synthesized compounds extend the range of quasi-one-dimensional organometallic perovskites suitable for optical and possibly electronic applications.

AB - Two novel hybrid organic-inorganic perovskites, pyridinium lead tribromide and pyridinium lead triiodide, are prepared. Based on the XRD data, we find that the compounds are quasi-one-dimensional crystals of Pna21 symmetry. DFT calculations demonstrate that the valence band of the new compounds is comprised of the occupied p-orbitals of the halogen anions, while their conduction bands CB and CB + 1 are composed mainly of the unoccupied π-orbitals of the aromatic pyridinium rings. The computed DOS matches well with the recorded XPS spectra. The pyridinium lead tribromide and pyridinium lead triiodide absorption peaks derived from the experimental DRS are located at ∼3.1 eV and ∼2.4 eV, respectively. An agreement between the experimentally and theoretically predicted absorption spectra is found. The synthesized compounds extend the range of quasi-one-dimensional organometallic perovskites suitable for optical and possibly electronic applications.

KW - INORGANIC-ORGANIC HYBRID

KW - X-RAY-DIFFRACTION

KW - HALIDE PEROVSKITES

KW - HYPERVALENT BOND

KW - PHASE-TRANSITION

KW - CRYSTAL

KW - EXCITONS

UR - http://www.scopus.com/inward/record.url?scp=85056924869&partnerID=8YFLogxK

U2 - 10.1039/c8dt03041c

DO - 10.1039/c8dt03041c

M3 - Article

C2 - 30403230

AN - SCOPUS:85056924869

VL - 47

SP - 16313

EP - 16319

JO - Dalton Transactions

JF - Dalton Transactions

SN - 1477-9226

IS - 45

ER -

ID: 36115837