Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals

Takashi Komesu; Xin Huang; Tula R. Paudel; Yaroslav B. Losovyj; Xin Zhang; Eike F. Schwier; Yohei Kojima; Mingtian Zheng; Hideaki Iwasawa; Kenya Shimada; Makhsud I. Saidaminov; Dong Shi; Ahmed L. Abdelhady; Osman M. Bakr; Shuai Dong; Evgeny Y. Tsymbal; Peter A. Dowben

doi:10.1021/acs.jpcc.6b08329

Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals

Takashi Komesu, Xin Huang, Tula R. Paudel, Yaroslav B. Losovyj, Xin Zhang, Eike F. Schwier, Yohei Kojima, Mingtian Zheng, Hideaki Iwasawa, Kenya Shimada, Makhsud I. Saidaminov, Dong Shi, Ahmed L. Abdelhady, Osman M. Bakr, Shuai Dong, Evgeny Y. Tsymbal, Peter A. Dowben

Chemistry

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61 Scopus citations

Abstract

The electronic structure and band dispersion of methylammonium lead bromide, CH₃NH₃PbBr₃, has been investigated through a combination of angle-resolved photoemission spectroscopy (ARPES) and inverse photoemission spectroscopy (IPES), as well as theoretical modeling based on density functional theory. The experimental band structures are consistent with the density functional calculations. The results demonstrate the presence of a dispersive valence band in MAPbBr₃ that peaks at the M point of the surface Brillouin zone. The results also indicate that the surface termination of the CH₃NH₃PbBr₃ is the methylammonium bromide (CH₃NH₃Br) layer. We find our results support models that predict a heavier hole effective mass in the region of -0.23 to -0.26 m_e, along the Γ (surface Brillouin center) to M point of the surface Brillouin zone. The surface appears to be n-type as a result of an excess of lead in the surface region.

Original language	British English
Pages (from-to)	21710-21715
Number of pages	6
Journal	Journal of Physical Chemistry C
Volume	120
Issue number	38
DOIs	https://doi.org/10.1021/acs.jpcc.6b08329
State	Published - 29 Sep 2016

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Komesu, T., Huang, X., Paudel, T. R., Losovyj, Y. B., Zhang, X., Schwier, E. F., Kojima, Y., Zheng, M., Iwasawa, H., Shimada, K., Saidaminov, M. I., Shi, D., Abdelhady, A. L., Bakr, O. M., Dong, S., Tsymbal, E. Y., & Dowben, P. A. (2016). Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals. Journal of Physical Chemistry C, 120(38), 21710-21715. https://doi.org/10.1021/acs.jpcc.6b08329

@article{4ac06df7d99a4a1c9cd8dbb6639283f9,

title = "Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals",

abstract = "The electronic structure and band dispersion of methylammonium lead bromide, CH3NH3PbBr3, has been investigated through a combination of angle-resolved photoemission spectroscopy (ARPES) and inverse photoemission spectroscopy (IPES), as well as theoretical modeling based on density functional theory. The experimental band structures are consistent with the density functional calculations. The results demonstrate the presence of a dispersive valence band in MAPbBr3 that peaks at the M point of the surface Brillouin zone. The results also indicate that the surface termination of the CH3NH3PbBr3 is the methylammonium bromide (CH3NH3Br) layer. We find our results support models that predict a heavier hole effective mass in the region of -0.23 to -0.26 me, along the Γ (surface Brillouin center) to M point of the surface Brillouin zone. The surface appears to be n-type as a result of an excess of lead in the surface region.",

author = "Takashi Komesu and Xin Huang and Paudel, {Tula R.} and Losovyj, {Yaroslav B.} and Xin Zhang and Schwier, {Eike F.} and Yohei Kojima and Mingtian Zheng and Hideaki Iwasawa and Kenya Shimada and Saidaminov, {Makhsud I.} and Dong Shi and Abdelhady, {Ahmed L.} and Bakr, {Osman M.} and Shuai Dong and Tsymbal, {Evgeny Y.} and Dowben, {Peter A.}",

note = "Publisher Copyright: {\textcopyright} 2016 American Chemical Society.",

year = "2016",

month = sep,

day = "29",

doi = "10.1021/acs.jpcc.6b08329",

language = "British English",

volume = "120",

pages = "21710--21715",

journal = "Journal of Physical Chemistry C",

issn = "1932-7447",

publisher = "American Chemical Society",

number = "38",

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Komesu, T, Huang, X, Paudel, TR, Losovyj, YB, Zhang, X, Schwier, EF, Kojima, Y, Zheng, M, Iwasawa, H, Shimada, K, Saidaminov, MI, Shi, D, Abdelhady, AL, Bakr, OM, Dong, S, Tsymbal, EY & Dowben, PA 2016, 'Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals', Journal of Physical Chemistry C, vol. 120, no. 38, pp. 21710-21715. https://doi.org/10.1021/acs.jpcc.6b08329

TY - JOUR

T1 - Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals

AU - Komesu, Takashi

AU - Huang, Xin

AU - Paudel, Tula R.

AU - Losovyj, Yaroslav B.

AU - Zhang, Xin

AU - Schwier, Eike F.

AU - Kojima, Yohei

AU - Zheng, Mingtian

AU - Iwasawa, Hideaki

AU - Shimada, Kenya

AU - Saidaminov, Makhsud I.

AU - Shi, Dong

AU - Abdelhady, Ahmed L.

AU - Bakr, Osman M.

AU - Dong, Shuai

AU - Tsymbal, Evgeny Y.

AU - Dowben, Peter A.

PY - 2016/9/29

Y1 - 2016/9/29

N2 - The electronic structure and band dispersion of methylammonium lead bromide, CH3NH3PbBr3, has been investigated through a combination of angle-resolved photoemission spectroscopy (ARPES) and inverse photoemission spectroscopy (IPES), as well as theoretical modeling based on density functional theory. The experimental band structures are consistent with the density functional calculations. The results demonstrate the presence of a dispersive valence band in MAPbBr3 that peaks at the M point of the surface Brillouin zone. The results also indicate that the surface termination of the CH3NH3PbBr3 is the methylammonium bromide (CH3NH3Br) layer. We find our results support models that predict a heavier hole effective mass in the region of -0.23 to -0.26 me, along the Γ (surface Brillouin center) to M point of the surface Brillouin zone. The surface appears to be n-type as a result of an excess of lead in the surface region.

AB - The electronic structure and band dispersion of methylammonium lead bromide, CH3NH3PbBr3, has been investigated through a combination of angle-resolved photoemission spectroscopy (ARPES) and inverse photoemission spectroscopy (IPES), as well as theoretical modeling based on density functional theory. The experimental band structures are consistent with the density functional calculations. The results demonstrate the presence of a dispersive valence band in MAPbBr3 that peaks at the M point of the surface Brillouin zone. The results also indicate that the surface termination of the CH3NH3PbBr3 is the methylammonium bromide (CH3NH3Br) layer. We find our results support models that predict a heavier hole effective mass in the region of -0.23 to -0.26 me, along the Γ (surface Brillouin center) to M point of the surface Brillouin zone. The surface appears to be n-type as a result of an excess of lead in the surface region.

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U2 - 10.1021/acs.jpcc.6b08329

DO - 10.1021/acs.jpcc.6b08329

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AN - SCOPUS:84989952993

SN - 1932-7447

VL - 120

SP - 21710

EP - 21715

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 38

ER -

Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals

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