Thermal Effects and Halide Mixing of Hybrid Perovskites: MD and XPS Studies.
Danil W. Boukhvalov
1, 2
,
I. S. ZHIDKOV
3
,
Azat F Akbulatov
4
,
A. I. KUKHARENKO
3
,
Andrey I Kukharenko
3
,
S. O. CHOLAKH
1
,
Pavel A. Troshin
4, 5
,
E. Z. Kurmaev
3, 6
,
Ernst Z Kurmaev
3, 6
Publication type: Journal Article
Publication date: 2019-12-10
scimago Q2
wos Q2
SJR: 0.634
CiteScore: 4.8
Impact factor: 2.8
ISSN: 10895639, 15205215
PubMed ID:
31820980
Physical and Theoretical Chemistry
Abstract
Thermal effects in organo-metal halide perovskites are studied by ab-initio molecular dynamics (MD) simulations performed at effective temperatures of 293 and 383 K and X-ray photoelectron spectroscopy (XPS). We find that the cause of thermal instability in this class of perovskites is the rotation of the methylammonium (MA) groups that destroy the rigid lattice of pure compounds (MAPbI3 and MAPbBr3). When the Pb-I lattice is initially distorted by partial replacement of the I with Cl or Br, this not only prevents formation of PbI2 seeds but also improves lattice flexibility and stability against the temperature induced motion and rotation of MA groups.
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
1
2
|
|
|
Journal of Materials Chemistry C
2 publications, 12.5%
|
|
|
Journal of Physical Chemistry C
1 publication, 6.25%
|
|
|
Nano Energy
1 publication, 6.25%
|
|
|
NPG Asia Materials
1 publication, 6.25%
|
|
|
Journal of Solid State Chemistry
1 publication, 6.25%
|
|
|
Journal of Alloys and Compounds
1 publication, 6.25%
|
|
|
Computational Materials Science
1 publication, 6.25%
|
|
|
Inorganic Chemistry Frontiers
1 publication, 6.25%
|
|
|
Energy and Environmental Science
1 publication, 6.25%
|
|
|
Solar RRL
1 publication, 6.25%
|
|
|
ACS Energy Letters
1 publication, 6.25%
|
|
|
Advanced Functional Materials
1 publication, 6.25%
|
|
|
Journal of Power Sources
1 publication, 6.25%
|
|
|
Journal of Energy Storage
1 publication, 6.25%
|
|
|
Vacuum
1 publication, 6.25%
|
|
|
1
2
|
Publishers
|
1
2
3
4
5
6
7
|
|
|
Elsevier
7 publications, 43.75%
|
|
|
Royal Society of Chemistry (RSC)
4 publications, 25%
|
|
|
American Chemical Society (ACS)
2 publications, 12.5%
|
|
|
Wiley
2 publications, 12.5%
|
|
|
Springer Nature
1 publication, 6.25%
|
|
|
1
2
3
4
5
6
7
|
- We do not take into account publications without a DOI.
- Statistics recalculated weekly.
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
16
Total citations:
16
Citations from 2024:
5
(31%)
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Boukhvalov D. W. et al. Thermal Effects and Halide Mixing of Hybrid Perovskites: MD and XPS Studies. // Journal of Physical Chemistry A. 2019. Vol. 124. No. 1. pp. 135-140.
GOST all authors (up to 50)
Copy
Boukhvalov D. W., ZHIDKOV I. S., Akbulatov A. F., KUKHARENKO A. I., Kukharenko A. I., CHOLAKH S. O., Stevenson K. J., Troshin P. A., Kurmaev E. Z., Kurmaev E. Z. Thermal Effects and Halide Mixing of Hybrid Perovskites: MD and XPS Studies. // Journal of Physical Chemistry A. 2019. Vol. 124. No. 1. pp. 135-140.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1021/acs.jpca.9b09653
UR - https://pubs.acs.org/doi/10.1021/acs.jpca.9b09653
TI - Thermal Effects and Halide Mixing of Hybrid Perovskites: MD and XPS Studies.
T2 - Journal of Physical Chemistry A
AU - Boukhvalov, Danil W.
AU - ZHIDKOV, I. S.
AU - Akbulatov, Azat F
AU - KUKHARENKO, A. I.
AU - Kukharenko, Andrey I
AU - CHOLAKH, S. O.
AU - Stevenson, Keith J
AU - Troshin, Pavel A.
AU - Kurmaev, E. Z.
AU - Kurmaev, Ernst Z
PY - 2019
DA - 2019/12/10
PB - American Chemical Society (ACS)
SP - 135-140
IS - 1
VL - 124
PMID - 31820980
SN - 1089-5639
SN - 1520-5215
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2019_Boukhvalov,
author = {Danil W. Boukhvalov and I. S. ZHIDKOV and Azat F Akbulatov and A. I. KUKHARENKO and Andrey I Kukharenko and S. O. CHOLAKH and Keith J Stevenson and Pavel A. Troshin and E. Z. Kurmaev and Ernst Z Kurmaev},
title = {Thermal Effects and Halide Mixing of Hybrid Perovskites: MD and XPS Studies.},
journal = {Journal of Physical Chemistry A},
year = {2019},
volume = {124},
publisher = {American Chemical Society (ACS)},
month = {dec},
url = {https://pubs.acs.org/doi/10.1021/acs.jpca.9b09653},
number = {1},
pages = {135--140},
doi = {10.1021/acs.jpca.9b09653}
}
Cite this
MLA
Copy
Boukhvalov, Danil W., et al. “Thermal Effects and Halide Mixing of Hybrid Perovskites: MD and XPS Studies..” Journal of Physical Chemistry A, vol. 124, no. 1, Dec. 2019, pp. 135-140. https://pubs.acs.org/doi/10.1021/acs.jpca.9b09653.