Electronic Structure of CH3NH3PbX3 Perovskites: Dependence on the Halide Moiety

Lindblad, RebeckaUppsala universitet,Molekyl- och kondenserade materiens fysik (author)

Electronic Structure of CH3NH3PbX3 Perovskites : Dependence on the Halide Moiety

AuthorCount:14;
A combination of measurements using photoelectron spectroscopy and calculations using density functional theory (DFT) was applied to compare the detailed electronic structure of the organolead halide perovskites CH3NH3PbI3 and CH3NH3PbBr3. These perovskite materials are used to absorb light in mesoscopic and planar heterojunction solar cells. The Pb 4f core level is investigated to get insight into the chemistry of the two materials. Valence level measurments are also included showing a shift of the valence band edges where there is a higher binding energy of the edge for the CH3NH3PbBr3 perovskite. These changes are supported by the theoretical calculations which indicate that the differences in electronic structure are mainly caused by the nature of the halide ion rather than structural differences. The combination of photoelectron spectroscopy measurements and electronic structure calculations is essential to disentangle how the valence band edge in organolead halide perovskites is governed by the intrinsic difference in energy levels of the halide ions from the influence of chemical bonding.

Jena, Naresh K.Stockholms universitet,Fysikum(Swepub:su)jnare (author)
Philippe, BertrandUppsala universitet,Molekyl- och kondenserade materiens fysik(Swepub:uu)phibe331 (author)
Oscarsson, JohanUppsala universitet,Molekyl- och kondenserade materiens fysik(Swepub:uu)johos804 (author)
Bi, DongqinUppsala universitet,Fysikalisk kemi(Swepub:uu)donbi345 (author)
Lindblad, AndreasUppsala universitet,Oorganisk kemi(Swepub:uu)anlin087 (author)
Mandal, SumanSolid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore, India (author)
Pal, BanabirSolid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore, India (author)
Sarma, Dipankar DasSolid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore, India (author)
Karis, OlofUppsala universitet,Molekyl- och kondenserade materiens fysik(Swepub:uu)olofkari (author)
Siegbahn, HansUppsala universitet,Molekyl- och kondenserade materiens fysik(Swepub:uu)hsi13487 (author)
Johansson, Erik M.J.Uppsala universitet,Fysikalisk kemi(Swepub:uu)erjoh367 (author)
Odelius, MichaelStockholms universitet,Fysikum(Swepub:su)odelius (author)
Rensmo, HåkanUppsala universitet,Molekyl- och kondenserade materiens fysik(Swepub:uu)hakanrm (author)
Uppsala universitetMolekyl- och kondenserade materiens fysik (creator_code:org_t)

In:The Journal of Physical Chemistry CAmerican Chemical Society : American Chemical Society (ACS)119:4, s. 1818-18251932-74471932-7455

By the author/editor: Lindblad, Rebeck ...; Jena, Naresh K.; Philippe, Bertra ...; Oscarsson, Johan; Bi, Dongqin; Lindblad, Andrea ...; show more...; Mandal, Suman; Pal, Banabir; Sarma, Dipankar ...; Karis, Olof; Siegbahn, Hans; Johansson, Erik ...; Odelius, Michael; Rensmo, Håkan; show less...

About the subject

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.