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dc.contributor.authorBatra, N. M.en
dc.contributor.authorAshokkumar, A. E.en
dc.contributor.authorSmajic, J.en
dc.contributor.authorEnyashin, A. N.en
dc.contributor.authorDeepak, F. L.en
dc.contributor.authorCosta, P. M. F. J.en
dc.date.accessioned2021-08-31T15:00:39Z-
dc.date.available2021-08-31T15:00:39Z-
dc.date.issued2018-
dc.identifier.citationMorphological Phase Diagram of Gadolinium Iodide Encapsulated in Carbon Nanotubes / N. M. Batra, A. E. Ashokkumar, J. Smajic, et al. — DOI 10.1021/acs.jpcc.8b05342 // Journal of Physical Chemistry C. — 2018. — Vol. 122. — Iss. 43. — P. 24967-24976.en
dc.identifier.issn19327447-
dc.identifier.otherFinal2
dc.identifier.otherAll Open Access, Green3
dc.identifier.otherhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85055678922&doi=10.1021%2facs.jpcc.8b05342&partnerID=40&md5=f150e4f1c945989f4d34056a958639a5-
dc.identifier.otherhttps://repository.kaust.edu.sa/bitstream/10754/629369/1/acs.jpcc.8b05342.pdfm
dc.identifier.urihttp://elar.urfu.ru/handle/10995/101921-
dc.description.abstractThe melt phase encapsulation of gadolinium iodide (GdI3) in small internal diameter carbon nanotubes (CNTs) was explored to understand how the tubular structure of the host could chemically stabilize a hygroscopic metal halide. However, given the distribution of diameters in the as-received CNTs, the final sample consisted of mixed encapsulation products. These varied from the monoelemental iodine chain to the atomic layer deposition of the binary halide. Supported by density functional theory calculations, these observations led to the proposition of a morphological phase diagram for GdI3 encapsulation in CNTs as a function of the host's internal diameter. Copyright © 2018 American Chemical Society.en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherAmerican Chemical Societyen
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourceJ. Phys. Chem. C2
dc.sourceJournal of Physical Chemistry Cen
dc.subjectATOMIC LAYER DEPOSITIONen
dc.subjectCARBON NANOTUBESen
dc.subjectDENSITY FUNCTIONAL THEORYen
dc.subjectMETAL HALIDESen
dc.subjectPHASE DIAGRAMSen
dc.subjectYARNen
dc.subjectINTERNAL DIAMETERSen
dc.subjectMELT PHASEen
dc.subjectMORPHOLOGICAL PHASE DIAGRAMen
dc.subjectTUBULAR STRUCTURESen
dc.subjectGADOLINIUM COMPOUNDSen
dc.titleMorphological Phase Diagram of Gadolinium Iodide Encapsulated in Carbon Nanotubesen
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/articleen
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.identifier.rsi38637484-
dc.identifier.doi10.1021/acs.jpcc.8b05342-
dc.identifier.scopus85055678922-
local.contributor.employeeBatra, N.M., King Abdullah University of Science and Technology (KAUST), Physical Science and Engineering Division, Thuwal, 23955-6900, Saudi Arabia-
local.contributor.employeeAshokkumar, A.E., Department of Advanced Electron Microscopy, Imaging and Spectroscopy, International Iberian Nanotechnology Laboratory (INL), Avenida Mestre Jose Veiga, Braga, 4715-330, Portugal-
local.contributor.employeeSmajic, J., King Abdullah University of Science and Technology (KAUST), Physical Science and Engineering Division, Thuwal, 23955-6900, Saudi Arabia-
local.contributor.employeeEnyashin, A.N., Institute of Mathematics and Computer Sciences, Ural Federal University, Turgeneva Str., 4, Ekaterinburg, 620083, Russian Federation, Laboratory of Quantum Chemistry and Spectroscopy, Institute of Solid State Chemistry UB RAS, Pervomayskaya Str., 91, Ekaterinburg, 620990, Russian Federation-
local.contributor.employeeDeepak, F.L., Department of Advanced Electron Microscopy, Imaging and Spectroscopy, International Iberian Nanotechnology Laboratory (INL), Avenida Mestre Jose Veiga, Braga, 4715-330, Portugal-
local.contributor.employeeCosta, P.M.F.J., King Abdullah University of Science and Technology (KAUST), Physical Science and Engineering Division, Thuwal, 23955-6900, Saudi Arabia, Department of Materials and Ceramic Engineering, University of Aveiro, Aveiro, 3810-193, Portugal-
local.description.firstpage24967-
local.description.lastpage24976-
local.issue43-
local.volume122-
dc.identifier.wos000449308400053-
local.contributor.departmentKing Abdullah University of Science and Technology (KAUST), Physical Science and Engineering Division, Thuwal, 23955-6900, Saudi Arabia-
local.contributor.departmentDepartment of Advanced Electron Microscopy, Imaging and Spectroscopy, International Iberian Nanotechnology Laboratory (INL), Avenida Mestre Jose Veiga, Braga, 4715-330, Portugal-
local.contributor.departmentInstitute of Mathematics and Computer Sciences, Ural Federal University, Turgeneva Str., 4, Ekaterinburg, 620083, Russian Federation-
local.contributor.departmentLaboratory of Quantum Chemistry and Spectroscopy, Institute of Solid State Chemistry UB RAS, Pervomayskaya Str., 91, Ekaterinburg, 620990, Russian Federation-
local.contributor.departmentDepartment of Materials and Ceramic Engineering, University of Aveiro, Aveiro, 3810-193, Portugal-
local.identifier.pureac1acdf9-37b2-4aeb-89b6-4f9318d347e7uuid
local.identifier.pure8331086-
local.identifier.eid2-s2.0-85055678922-
local.identifier.wosWOS:000449308400053-
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