Vote for your favorite mineral in #MinCup25! - Pectolite vs. Haüyne
It's a pair of striking blue beauties as #pectolite the uncrushable faces off against #hauyne, the phoenix from volcanic ashes!
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Fuente, Silvia A., Belelli, Patricia G., Castellani, Norberto J., Avena, Marcelo (2013) LDA + U and GGA + U studies of Al-rich and bulk goethite (α-FeOOH). Materials Chemistry and Physics, 137. 1012-1020 doi:10.1016/j.matchemphys.2012.11.017

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleLDA + U and GGA + U studies of Al-rich and bulk goethite (α-FeOOH)
JournalMaterials Chemistry and Physics
AuthorsFuente, Silvia A.Author
Belelli, Patricia G.Author
Castellani, Norberto J.Author
Avena, MarceloAuthor
Year2013 (January)Volume137
PublisherElsevier BV
DOIdoi:10.1016/j.matchemphys.2012.11.017Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID3059964Long-form Identifiermindat:1:5:3059964:8
GUID0
Full ReferenceFuente, Silvia A., Belelli, Patricia G., Castellani, Norberto J., Avena, Marcelo (2013) LDA + U and GGA + U studies of Al-rich and bulk goethite (α-FeOOH). Materials Chemistry and Physics, 137. 1012-1020 doi:10.1016/j.matchemphys.2012.11.017
Plain TextFuente, Silvia A., Belelli, Patricia G., Castellani, Norberto J., Avena, Marcelo (2013) LDA + U and GGA + U studies of Al-rich and bulk goethite (α-FeOOH). Materials Chemistry and Physics, 137. 1012-1020 doi:10.1016/j.matchemphys.2012.11.017
In(2013, January) Materials Chemistry and Physics Vol. 137 (3) Elsevier BV

See Also

These are possibly similar items as determined by title/reference text matching only.

Belelli, Patricia G., Fuente, Silvia A., Castellani, Norberto J. (2014) Phosphate adsorption on goethite and Al-rich goethite. Computational Materials Science, 85. 59-66 doi:10.1016/j.commatsci.2013.12.030
Fuente, Silvia A., Belelli, Patricia G., Ferullo, Ricardo M., Castellani, Norberto J. (2008) Adsorption of NO on Au atoms and dimers supported on MgO(100): DFT studies. Surface Science, 602 (9). 1669-1676 doi:10.1016/j.susc.2008.02.037
Ferullo, Ricardo M., Fuente, Silvia A., Belelli, Patricia G., Castellani, Norberto J. (2007) DFT study of NH3 dissociation on Si(111)-7×7. The role of intermolecular interactions. Surface Science, 601 (8). 1870-1875 doi:10.1016/j.susc.2007.02.013
Fortunato, Leandro F., Zubieta, Carolina E., Fuente, Silvia A., Belelli, Patricia G., Ferullo, Ricardo M. (2016) Density functional studies of small Au clusters adsorbed on α-FeOOH: Structural and electronic properties. Applied Surface Science, 387. 894-901 doi:10.1016/j.apsusc.2016.07.011
Ferullo, Ricardo M., Fuente, Silvia A., Belelli, Patricia G., Castellani, Norberto J. (2009) CO interaction with Au atoms adsorbed on terrace, edge and corner sites of the MgO(100) surface. Electronic structure and vibrational analysis from DFT. Surface Science, 603 (9). 1262-1269 doi:10.1016/j.susc.2009.03.015
Fuente, Silvia A., Belelli, Patricia G., Branda, María M., Ferullo, Ricardo M., Castellani, Norberto J. (2009) Formation of Ag2, Au2 and AgAu particles on MgO(100): DFT study on the role of support-induced charge transfer in metal–metal interactions. Applied Surface Science, 255. 7380-7384 doi:10.1016/j.apsusc.2009.04.004
Ferullo, Ricardo M., Castellani, Norberto J., Belelli, Patricia G. (2016) Interaction of atomic hydrogen with anthracene and polyacene from density functional theory. Chemical Physics Letters, 648. 25-30 doi:10.1016/j.cplett.2016.01.067
BELELLI, PATRICIA G., CASTELLANI, NORBERTO J. (2008) A THEORETICAL STUDY OF UNSATURATED OLEFIN HYDROGENATION AND ISOMERIZATION ON Pd(111). Surface Review and Letters, 15 (3). 249-259 doi:10.1142/s0218625x08011329
Zubieta, Carolina E., Aquino-Linarez, Luis G., Fuente, Silvia A., Belelli, Patricia G., Ferullo, Ricardo M. (2020) Growth and structure of Cu, Ag and Au clusters on α-Fe2O3(0001): A comparative density functional study. Computational Materials Science, 173. 109392pp. doi:10.1016/j.commatsci.2019.109392
Belelli, Patricia G., Ferullo, Ricardo M., Castellani, Norberto J. (2010) Unsaturated hydrocarbons adsorbed on low coordinated Pd surface: A periodic DFT study. Surface Science, 604 (3). 386-395 doi:10.1016/j.susc.2009.11.035
Gómez, Guillermina, Belelli, Patricia G., Cabeza, Gabriela F., Castellani, Norberto J. (2010) The adsorption of 1,3-butadiene on Pd/Ni multilayers: The interplay between spin polarization and chemisorption strength. Journal of Solid State Chemistry, 183. 3086-3092 doi:10.1016/j.jssc.2010.10.022
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 17, 2025 05:28:01
Go to top of page