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 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 Bakr, Shuai Dong, Evgeny Y. Tsymbal, Peter A. Dowben

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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. © 2016 American Chemical Society.

Original language	English (US)
Pages (from-to)	21710-21715
Number of pages	6
Journal	The Journal of Physical Chemistry C
Volume	120
Issue number	38
DOIs	https://doi.org/10.1021/acs.jpcc.6b08329
State	Published - Sep 12 2016

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This work was supported by the National Science Foundation through the Nebraska MRSEC (Grant DMR-1420645) and the Nebraska Center for Energy Science Research as well as KAUST. Facility use at HiSOR based on HiSOR proposal number 15-A-18 is acknowledged. E.F.S acknowledges financial support from the JSPS postdoctoral fellowship for overseas researchers as well as the Alexander von Humboldt Foundation (Grant P13783). X.H. was supported by the China Scholarship Council.

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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., Dong, S., Tsymbal, E. Y., & Dowben, P. A. (2016). Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals. The Journal of Physical Chemistry C, 120(38), 21710-21715. https://doi.org/10.1021/acs.jpcc.6b08329

@article{277a4588154e40f283d5c38a643e2b89,

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. {\textcopyright} 2016 American Chemical Society.",

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 Osman Bakr and Shuai Dong and Tsymbal, {Evgeny Y.} and Dowben, {Peter A.}",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: This work was supported by the National Science Foundation through the Nebraska MRSEC (Grant DMR-1420645) and the Nebraska Center for Energy Science Research as well as KAUST. Facility use at HiSOR based on HiSOR proposal number 15-A-18 is acknowledged. E.F.S acknowledges financial support from the JSPS postdoctoral fellowship for overseas researchers as well as the Alexander von Humboldt Foundation (Grant P13783). X.H. was supported by the China Scholarship Council.",

year = "2016",

month = sep,

day = "12",

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

language = "English (US)",

volume = "120",

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journal = "The Journal of Physical Chemistry C",

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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, O, Dong, S, Tsymbal, EY & Dowben, PA 2016, 'Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals', The 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

AU - Dong, Shuai

AU - Tsymbal, Evgeny Y.

AU - Dowben, Peter A.

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: This work was supported by the National Science Foundation through the Nebraska MRSEC (Grant DMR-1420645) and the Nebraska Center for Energy Science Research as well as KAUST. Facility use at HiSOR based on HiSOR proposal number 15-A-18 is acknowledged. E.F.S acknowledges financial support from the JSPS postdoctoral fellowship for overseas researchers as well as the Alexander von Humboldt Foundation (Grant P13783). X.H. was supported by the China Scholarship Council.

PY - 2016/9/12

Y1 - 2016/9/12

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. © 2016 American Chemical Society.

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. © 2016 American Chemical Society.

UR - http://hdl.handle.net/10754/622475

UR - http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b08329

UR - http://www.scopus.com/inward/record.url?scp=84989952993&partnerID=8YFLogxK

U2 - 10.1021/acs.jpcc.6b08329

DO - 10.1021/acs.jpcc.6b08329

M3 - Article

SN - 1932-7447

VL - 120

SP - 21710

EP - 21715

JO - The Journal of Physical Chemistry C

JF - The Journal of Physical Chemistry C

IS - 38

ER -

Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals

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