000828065 001__ 828065
000828065 005__ 20240712084507.0
000828065 020__ $$a978-3-319-53861-7 (print)
000828065 020__ $$a978-3-319-53862-4 (electronic)
000828065 0247_ $$2doi$$a10.1007/978-3-319-53862-4_10
000828065 0247_ $$2ISSN$$a0302-9743
000828065 0247_ $$2ISSN$$a1611-3349
000828065 0247_ $$2altmetric$$aaltmetric:13480828
000828065 037__ $$aFZJ-2017-02070
000828065 082__ $$a004
000828065 1001_ $$0P:(DE-Juel1)136941$$aCzaja, Philippe$$b0
000828065 1112_ $$aJHPCS16$$cAachen$$d2016-10-04 - 2016-10-05$$wGermany
000828065 245__ $$aAb Initio Description of Optoelectronic Properties at Defective Interfaces in Solar Cells
000828065 260__ $$aCham$$bSpringer International Publishing$$c2017
000828065 29510 $$aHigh-Performance Scientific Computing / Di Napoli, Edoardo (Editor)   ; Cham : Springer International Publishing, 2017, Chapter 10 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-319-53861-7=978-3-319-53862-4 ; doi:10.1007/978-3-319-53862-4
000828065 300__ $$a111 - 124
000828065 3367_ $$2ORCID$$aCONFERENCE_PAPER
000828065 3367_ $$033$$2EndNote$$aConference Paper
000828065 3367_ $$2BibTeX$$aINPROCEEDINGS
000828065 3367_ $$2DRIVER$$aconferenceObject
000828065 3367_ $$2DataCite$$aOutput Types/Conference Paper
000828065 3367_ $$0PUB:(DE-HGF)8$$2PUB:(DE-HGF)$$aContribution to a conference proceedings$$bcontrib$$mcontrib$$s1518074864_26002
000828065 3367_ $$0PUB:(DE-HGF)7$$2PUB:(DE-HGF)$$aContribution to a book$$mcontb
000828065 4900_ $$aLecture Notes in Computer Science$$v10164
000828065 520__ $$aIn order to optimize the optoelectronic properties of novel solar cell architectures, such as the amorphous-crystalline interface in silicon heterojunction devices, we calculate and analyze the local microscopic structure at this interface and in bulk a-Si:H, in particular with respect to the impact of material inhomogeneities. The microscopic information is used to extract macroscopic material properties, and to identify localized defect states, which govern the recombination properties encoded in quantities such as capture cross sections used in the Shockley-Read-Hall theory. To this end, atomic configurations for a-Si:H and a-Si:H/c-Si interfaces are generated using molecular dynamics. Density functional theory calculations are then applied to these configurations in order to obtain the electronic wave functions. These are analyzed and characterized with respect to their localization and their contribution to the (local) density of states. GW calculations are performed for the a-Si:H configuration in order to obtain a quasi-particle corrected absorption spectrum. The results suggest that the quasi-particle corrections can be approximated through a scissors shift of the Kohn-Sham energies.
000828065 536__ $$0G:(DE-HGF)POF3-121$$a121 - Solar cells of the next generation (POF3-121)$$cPOF3-121$$fPOF III$$x0
000828065 536__ $$0G:(DE-Juel1)jiek50_20141101$$aAb-initio description of transport and recombination at defective interfaces in solar cells (jiek50_20141101)$$cjiek50_20141101$$fAb-initio description of transport and recombination at defective interfaces in solar cells$$x1
000828065 536__ $$0G:(DE-Juel1)HITEC-20170406$$aHITEC - Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC) (HITEC-20170406)$$cHITEC-20170406$$x2
000828065 588__ $$aDataset connected to CrossRef Book Series
000828065 7001_ $$0P:(DE-HGF)0$$aCelino, Massimo$$b1
000828065 7001_ $$0P:(DE-HGF)0$$aGiusepponi, Simone$$b2
000828065 7001_ $$0P:(DE-HGF)0$$aGusso, Michele$$b3
000828065 7001_ $$0P:(DE-Juel1)130210$$aAeberhard, Urs$$b4$$eCorresponding author
000828065 773__ $$a10.1007/978-3-319-53862-4_10
000828065 8564_ $$uhttps://juser.fz-juelich.de/record/828065/files/chp_10.1007_978-3-319-53862-4_10.pdf$$yRestricted
000828065 8564_ $$uhttps://juser.fz-juelich.de/record/828065/files/chp_10.1007_978-3-319-53862-4_10.gif?subformat=icon$$xicon$$yRestricted
000828065 8564_ $$uhttps://juser.fz-juelich.de/record/828065/files/chp_10.1007_978-3-319-53862-4_10.jpg?subformat=icon-1440$$xicon-1440$$yRestricted
000828065 8564_ $$uhttps://juser.fz-juelich.de/record/828065/files/chp_10.1007_978-3-319-53862-4_10.jpg?subformat=icon-180$$xicon-180$$yRestricted
000828065 8564_ $$uhttps://juser.fz-juelich.de/record/828065/files/chp_10.1007_978-3-319-53862-4_10.jpg?subformat=icon-640$$xicon-640$$yRestricted
000828065 8564_ $$uhttps://juser.fz-juelich.de/record/828065/files/chp_10.1007_978-3-319-53862-4_10.pdf?subformat=pdfa$$xpdfa$$yRestricted
000828065 909CO $$ooai:juser.fz-juelich.de:828065$$pVDB
000828065 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)136941$$aForschungszentrum Jülich$$b0$$kFZJ
000828065 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130210$$aForschungszentrum Jülich$$b4$$kFZJ
000828065 9131_ $$0G:(DE-HGF)POF3-121$$1G:(DE-HGF)POF3-120$$2G:(DE-HGF)POF3-100$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bEnergie$$lErneuerbare Energien$$vSolar cells of the next generation$$x0
000828065 9141_ $$y2017
000828065 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz
000828065 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000828065 9201_ $$0I:(DE-Juel1)IEK-5-20101013$$kIEK-5$$lPhotovoltaik$$x0
000828065 9201_ $$0I:(DE-82)080012_20140620$$kJARA-HPC$$lJARA - HPC$$x1
000828065 980__ $$acontrib
000828065 980__ $$aVDB
000828065 980__ $$acontb
000828065 980__ $$aI:(DE-Juel1)IEK-5-20101013
000828065 980__ $$aI:(DE-82)080012_20140620
000828065 980__ $$aUNRESTRICTED
000828065 981__ $$aI:(DE-Juel1)IMD-3-20101013