volume 49 issue 6 pages 2259-2269

FAULTS: a program for refinement of structures with extended defects

Jokin Rikarte 1
Pavel Horbach 2, 3
Juan Rodriguez-Carvajal 2
Juan Rodríguez-Carvajal 2
1
 
CIC Energigune, Parque Técnologico de Álava, Albert Einstein 48, Miñano, 01510, Spain
3
 
Institute for Metal Physics, National Academy of Science, 36 Vernadsky Boulevard, Kiev, 03680, Ukraine
Publication typeJournal Article
Publication date2016-11-02
scimago Q1
wos Q1
SJR1.183
CiteScore8.5
Impact factor2.8
ISSN00218898, 16005767
General Biochemistry, Genetics and Molecular Biology
Abstract

The FAULTS program is a powerful tool for the refinement of diffraction patterns of materials with planar defects. A new release of the FAULTS program is herein presented, together with a number of new capabilities, aimed at improving the refinement process and evolving towards a more user-friendly approach. These include the possibility to refine multiple sets of single-crystal profiles of diffuse streaks, the visualization of the model structures, the possibility to add the diffracted intensities from secondary phases as background and the new DIFFaX2FAULTS converter, among others. Three examples related to battery materials are shown to illustrate the capabilities of the program.

Found 
Found 

Top-30

Journals

1
2
3
4
5
6
7
8
9
Chemistry of Materials
9 publications, 8.74%
Inorganic Chemistry
8 publications, 7.77%
Journal of Materials Chemistry A
8 publications, 7.77%
Nature Communications
4 publications, 3.88%
Journal of Applied Crystallography
4 publications, 3.88%
Advanced Functional Materials
4 publications, 3.88%
Physical Review B
3 publications, 2.91%
Crystals
3 publications, 2.91%
ACS Applied Energy Materials
3 publications, 2.91%
ACS Nano
3 publications, 2.91%
Physical Chemistry Chemical Physics
2 publications, 1.94%
Powder Diffraction
2 publications, 1.94%
Journal of the Electrochemical Society
2 publications, 1.94%
Materials
2 publications, 1.94%
Journal of the American Chemical Society
2 publications, 1.94%
Energy and Environmental Science
2 publications, 1.94%
Dalton Transactions
2 publications, 1.94%
Nature Materials
1 publication, 0.97%
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
1 publication, 0.97%
Applied Surface Science
1 publication, 0.97%
Nanomaterials
1 publication, 0.97%
Frontiers in Energy Research
1 publication, 0.97%
Journal of Power Sources
1 publication, 0.97%
Materials Today Energy
1 publication, 0.97%
Journal of Alloys and Compounds
1 publication, 0.97%
Journal of Physics Condensed Matter
1 publication, 0.97%
Journal of Electron Spectroscopy and Related Phenomena
1 publication, 0.97%
Energy Storage Materials
1 publication, 0.97%
Nano Energy
1 publication, 0.97%
Materials Today
1 publication, 0.97%
1
2
3
4
5
6
7
8
9

Publishers

5
10
15
20
25
30
35
American Chemical Society (ACS)
32 publications, 31.07%
Royal Society of Chemistry (RSC)
16 publications, 15.53%
Elsevier
12 publications, 11.65%
Wiley
11 publications, 10.68%
Springer Nature
10 publications, 9.71%
MDPI
7 publications, 6.8%
International Union of Crystallography (IUCr)
5 publications, 4.85%
American Physical Society (APS)
3 publications, 2.91%
Cambridge University Press
2 publications, 1.94%
The Electrochemical Society
2 publications, 1.94%
Frontiers Media S.A.
1 publication, 0.97%
IOP Publishing
1 publication, 0.97%
Walter de Gruyter
1 publication, 0.97%
5
10
15
20
25
30
35
  • 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
104
Share
Cite this
GOST |
Cite this
GOST Copy
Casas-Cabanas M. et al. FAULTS: a program for refinement of structures with extended defects // Journal of Applied Crystallography. 2016. Vol. 49. No. 6. pp. 2259-2269.
GOST all authors (up to 50) Copy
Casas-Cabanas M., Reynaud M., Rikarte J., Horbach P., Rodriguez-Carvajal J., Rodríguez-Carvajal J. FAULTS: a program for refinement of structures with extended defects // Journal of Applied Crystallography. 2016. Vol. 49. No. 6. pp. 2259-2269.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1107/S1600576716014473
UR - https://doi.org/10.1107/S1600576716014473
TI - FAULTS: a program for refinement of structures with extended defects
T2 - Journal of Applied Crystallography
AU - Casas-Cabanas, Montse
AU - Reynaud, Marine
AU - Rikarte, Jokin
AU - Horbach, Pavel
AU - Rodriguez-Carvajal, Juan
AU - Rodríguez-Carvajal, Juan
PY - 2016
DA - 2016/11/02
PB - International Union of Crystallography (IUCr)
SP - 2259-2269
IS - 6
VL - 49
SN - 0021-8898
SN - 1600-5767
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2016_Casas-Cabanas,
author = {Montse Casas-Cabanas and Marine Reynaud and Jokin Rikarte and Pavel Horbach and Juan Rodriguez-Carvajal and Juan Rodríguez-Carvajal},
title = {FAULTS: a program for refinement of structures with extended defects},
journal = {Journal of Applied Crystallography},
year = {2016},
volume = {49},
publisher = {International Union of Crystallography (IUCr)},
month = {nov},
url = {https://doi.org/10.1107/S1600576716014473},
number = {6},
pages = {2259--2269},
doi = {10.1107/S1600576716014473}
}
MLA
Cite this
MLA Copy
Casas-Cabanas, Montse, et al. “FAULTS: a program for refinement of structures with extended defects.” Journal of Applied Crystallography, vol. 49, no. 6, Nov. 2016, pp. 2259-2269. https://doi.org/10.1107/S1600576716014473.