skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: (CH3NH3) AuX4·H2O (X=Cl, Br) and (CH3NH3) AuCl4: Low-Band Gap Lead-Free Layered Gold Halide Perovskite Materials

Abstract

Perovskite solar cells have recently enabled power conversion efficiency comparable to established technologies such as silicon and cadmium telluride. Ongoing efforts to improve the stability of halide perovskites in ambient air has yielded promising results. However, the presence of toxic heavy element lead (Pb) remains a major concern requiring further attention. Herein, we report three new Pb-free hybrid organic–inorganic perovskite-type halides based on gold (Au), (CH3NH3)AuBr4·H2O (1), (CH3NH3)AuCl4·H2O (2), and (CH3NH3)AuCl4 (3). Hydrated compounds 1 and 2 crystallize in a brand-new structure type featuring perovskite-derived 2D layers and 1D chains based on pseudo-octahedral AuX6 building blocks. In contrast, the novel crystal structure of the solvent-free compound 3 shows an exotic non-perovskite quasi-2D layered structure containing edge- and corner-shared AuCl6 octahedra. The use of Au metal instead of Pb results in unprecedented low band gaps below 2.5 eV for single-layered metal chlorides and bromides. Moreover, at room temperature the three compounds show a weak blue emission due to the electronic transition between Au-6s and Au-5d, in agreement with the density function theory (DFT) calculation results. These findings are discussed in the context of viability of Au-based halides as alternatives for Pb-based halides for optoelectronic applications.

Authors:
 [1]; ORCiD logo [1];  [1];  [2]; ORCiD logo [1]
  1. Univ. of Oklahoma, Norman, OK (United States). Dept. of Chemistry and Biochemistry
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1545209
Alternate Identifier(s):
OSTI ID: 1530632
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Chemistry - A European Journal
Additional Journal Information:
Journal Volume: 25; Journal Issue: 42; Journal ID: ISSN 0947-6539
Publisher:
ChemPubSoc Europe
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 13 HYDRO ENERGY; 30 DIRECT ENERGY CONVERSION; density functional calculations; diffuse reflectance; halides; low-band gap; perovskite phases

Citation Formats

Worley, Chris, Yangui, Aymen, Roccanova, Rachel, Du, Mao‐Hua, and Saparov, Bayrammurad. (CH3NH3) AuX4·H2O (X=Cl, Br) and (CH3NH3) AuCl4: Low-Band Gap Lead-Free Layered Gold Halide Perovskite Materials. United States: N. p., 2019. Web. doi:10.1002/chem.201901112.
Worley, Chris, Yangui, Aymen, Roccanova, Rachel, Du, Mao‐Hua, & Saparov, Bayrammurad. (CH3NH3) AuX4·H2O (X=Cl, Br) and (CH3NH3) AuCl4: Low-Band Gap Lead-Free Layered Gold Halide Perovskite Materials. United States. doi:10.1002/chem.201901112.
Worley, Chris, Yangui, Aymen, Roccanova, Rachel, Du, Mao‐Hua, and Saparov, Bayrammurad. Tue . "(CH3NH3) AuX4·H2O (X=Cl, Br) and (CH3NH3) AuCl4: Low-Band Gap Lead-Free Layered Gold Halide Perovskite Materials". United States. doi:10.1002/chem.201901112. https://www.osti.gov/servlets/purl/1545209.
@article{osti_1545209,
title = {(CH3NH3) AuX4·H2O (X=Cl, Br) and (CH3NH3) AuCl4: Low-Band Gap Lead-Free Layered Gold Halide Perovskite Materials},
author = {Worley, Chris and Yangui, Aymen and Roccanova, Rachel and Du, Mao‐Hua and Saparov, Bayrammurad},
abstractNote = {Perovskite solar cells have recently enabled power conversion efficiency comparable to established technologies such as silicon and cadmium telluride. Ongoing efforts to improve the stability of halide perovskites in ambient air has yielded promising results. However, the presence of toxic heavy element lead (Pb) remains a major concern requiring further attention. Herein, we report three new Pb-free hybrid organic–inorganic perovskite-type halides based on gold (Au), (CH3NH3)AuBr4·H2O (1), (CH3NH3)AuCl4·H2O (2), and (CH3NH3)AuCl4 (3). Hydrated compounds 1 and 2 crystallize in a brand-new structure type featuring perovskite-derived 2D layers and 1D chains based on pseudo-octahedral AuX6 building blocks. In contrast, the novel crystal structure of the solvent-free compound 3 shows an exotic non-perovskite quasi-2D layered structure containing edge- and corner-shared AuCl6 octahedra. The use of Au metal instead of Pb results in unprecedented low band gaps below 2.5 eV for single-layered metal chlorides and bromides. Moreover, at room temperature the three compounds show a weak blue emission due to the electronic transition between Au-6s and Au-5d, in agreement with the density function theory (DFT) calculation results. These findings are discussed in the context of viability of Au-based halides as alternatives for Pb-based halides for optoelectronic applications.},
doi = {10.1002/chem.201901112},
journal = {Chemistry - A European Journal},
number = 42,
volume = 25,
place = {United States},
year = {2019},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Computational Design of Two-Dimensional Perovskites with Functional Organic Cations
journal, March 2018

  • Maheshwari, Sudeep; Savenije, Tom J.; Renaud, Nicolas
  • The Journal of Physical Chemistry C, Vol. 122, Issue 30
  • DOI: 10.1021/acs.jpcc.8b05715

Synthesis and Properties of a Lead-Free Hybrid Double Perovskite: (CH 3 NH 3 ) 2 AgBiBr 6
journal, January 2017


Mixed Dimensional 2D/3D Hybrid Perovskite Absorbers: The Future of Perovskite Solar Cells?
journal, December 2018

  • Krishna, Anurag; Gottis, Sébastien; Nazeeruddin, Mohammad Khaja
  • Advanced Functional Materials, Vol. 29, Issue 8
  • DOI: 10.1002/adfm.201806482

Two-Dimensional Hybrid Halide Perovskites: Principles and Promises
journal, November 2018

  • Mao, Lingling; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.
  • Journal of the American Chemical Society, Vol. 141, Issue 3
  • DOI: 10.1021/jacs.8b10851

Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design
journal, March 2016


Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH 3 NH 3 ) 2 CdX 4 (X = Cl, Br, I)
journal, November 2017


Cs 2 InAgCl 6 : A New Lead-Free Halide Double Perovskite with Direct Band Gap
journal, January 2017

  • Volonakis, George; Haghighirad, Amir Abbas; Milot, Rebecca L.
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 4
  • DOI: 10.1021/acs.jpclett.6b02682

Organic-inorganic electronics
journal, January 2001

  • Mitzi, D. B.; Chondroudis, K.; Kagan, C. R.
  • IBM Journal of Research and Development, Vol. 45, Issue 1
  • DOI: 10.1147/rd.451.0029

Highly Stable, New, Organic-Inorganic Perovskite (CH 3 NH 3 ) 2 PdBr 4 : Synthesis, Structure, and Physical Properties
journal, March 2018

  • Liu, Xixia; Huang, Tang Jiao; Zhang, Liuyang
  • Chemistry - A European Journal, Vol. 24, Issue 19
  • DOI: 10.1002/chem.201800062

Fabrication of Lead-Free (CH 3 NH 3 ) 3 Bi 2 I 9 Perovskite Photovoltaics in Ethanol Solvent
journal, September 2017


Solution-processed hybrid perovskite photodetectors with high detectivity
journal, November 2014

  • Dou, Letian; Yang, Yang (Micheal); You, Jingbi
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms6404

Laser cooling of organic–inorganic lead halide perovskites
journal, December 2015


Hybrid Perovskites for Photovoltaics: Charge-Carrier Recombination, Diffusion, and Radiative Efficiencies
journal, December 2015


Bandgap Narrowing in Bi-Doped CH 3 NH 3 PbCl 3 Perovskite Single Crystals and Thin Films
journal, August 2017

  • Zhang, Zhan; Ren, Lixia; Yan, Hong
  • The Journal of Physical Chemistry C, Vol. 121, Issue 32
  • DOI: 10.1021/acs.jpcc.7b06248

Solar cell efficiency tables (version 52)
journal, June 2018

  • Green, Martin A.; Hishikawa, Yoshihiro; Dunlop, Ewan D.
  • Progress in Photovoltaics: Research and Applications, Vol. 26, Issue 7
  • DOI: 10.1002/pip.3040

Ultralarge All-Inorganic Perovskite Bulk Single Crystal for High-Performance Visible-Infrared Dual-Modal Photodetectors
journal, May 2017

  • Song, Jizhong; Cui, Qingzhi; Li, Jianhai
  • Advanced Optical Materials, Vol. 5, Issue 12
  • DOI: 10.1002/adom.201700157

Chemistry and structure in Acta Crystallographica Section C
journal, January 2015


Broadband Emission in a New Two-Dimensional Cd-Based Hybrid Perovskite
journal, January 2018


Properties of CH 3 NH 3 PbX 3 (X = I, Br, Cl) Powders as Precursors for Organic/Inorganic Solar Cells
journal, November 2014

  • Dimesso, L.; Dimamay, M.; Hamburger, M.
  • Chemistry of Materials, Vol. 26, Issue 23
  • DOI: 10.1021/cm503240k

Under the spotlight: The organic–inorganic hybrid halide perovskite for optoelectronic applications
journal, June 2015


Perovskite photonic sources
journal, April 2016


Broadband Emission with a Massive Stokes Shift from Sulfonium Pb–Br Hybrids
journal, August 2017


Cs2AgBiBr6 single-crystal X-ray detectors with a low detection limit
journal, October 2017


Degradation in perovskite solar cells stored under different environmental conditions
journal, July 2017

  • Chauhan, Abhishek K.; Kumar, Pankaj
  • Journal of Physics D: Applied Physics, Vol. 50, Issue 32
  • DOI: 10.1088/1361-6463/aa7905

Bismuth Based Hybrid Perovskites A 3 Bi 2 I 9 (A: Methylammonium or Cesium) for Solar Cell Application
journal, September 2015

  • Park, Byung-Wook; Philippe, Bertrand; Zhang, Xiaoliang
  • Advanced Materials, Vol. 27, Issue 43
  • DOI: 10.1002/adma.201501978

Attaining High Photovoltaic Efficiency and Stability with Multidimensional Perovskites
journal, November 2018


High Detectivity and Rapid Response in Perovskite CsPbBr 3 Single-Crystal Photodetector
journal, February 2017

  • Ding, Jianxu; Du, Songjie; Zuo, Zhiyuan
  • The Journal of Physical Chemistry C, Vol. 121, Issue 9
  • DOI: 10.1021/acs.jpcc.7b01171

Fabrication of self-assembled palladium nanosheets using layered organic/inorganic hybrid as the template
journal, December 2005


Efficient room temperature aqueous Sb 2 S 3 synthesis for inorganic–organic sensitized solar cells with 5.1% efficiencies
journal, January 2015

  • Gödel, Karl C.; Choi, Yong Chan; Roose, Bart
  • Chemical Communications, Vol. 51, Issue 41
  • DOI: 10.1039/C5CC01966D

Thin-Film Preparation and Characterization of Cs 3 Sb 2 I 9 : A Lead-Free Layered Perovskite Semiconductor
journal, August 2015


Band Gaps of the Lead-Free Halide Double Perovskites Cs 2 BiAgCl 6 and Cs 2 BiAgBr 6 from Theory and Experiment
journal, June 2016

  • Filip, Marina R.; Hillman, Samuel; Haghighirad, Amir Abbas
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 13
  • DOI: 10.1021/acs.jpclett.6b01041

Yellowish White-Light Emission Involving Resonant Energy Transfer in a New One-Dimensional Hybrid Material: (C 9 H 10 N 2 )PbCl 4
journal, September 2018

  • Barkaoui, H.; Abid, H.; Yangui, A.
  • The Journal of Physical Chemistry C, Vol. 122, Issue 42
  • DOI: 10.1021/acs.jpcc.8b06850

Electronic structure of the gold complexes Cs 2 Au 2 X 6 ( X =I, Br, and Cl)
journal, March 1999


Perovskite Solar Cells and Devices at EPFL Valais Wallis
journal, September 2016


Structural diversity and retro-crystal engineering analysis of iodometalate hybrids
journal, January 2009

  • Mercier, Nicolas; Louvain, Nicolas; Bi, Wenhua
  • CrystEngComm, Vol. 11, Issue 5, p. 720-734
  • DOI: 10.1039/b817891g

High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide
journal, May 2016


Mixed Valence Perovskite Cs 2 Au 2 I 6 : A Potential Material for Thin-Film Pb-Free Photovoltaic Cells with Ultrahigh Efficiency
journal, February 2018

  • Debbichi, Lamjed; Lee, Songju; Cho, Hyunyoung
  • Advanced Materials, Vol. 30, Issue 12
  • DOI: 10.1002/adma.201707001

Rb 4 Ag 2 BiBr 9 : A Lead-Free Visible Light Absorbing Halide Semiconductor with Improved Stability
journal, February 2019


Lead-free solid-state organic–inorganic halide perovskite solar cells
journal, May 2014

  • Hao, Feng; Stoumpos, Constantinos C.; Cao, Duyen Hanh
  • Nature Photonics, Vol. 8, Issue 6
  • DOI: 10.1038/nphoton.2014.82

Air-Stable Molecular Semiconducting Iodosalts for Solar Cell Applications: Cs2SnI6 as a Hole Conductor
journal, October 2014

  • Lee, Byunghong; Stoumpos, Constantinos C.; Zhou, Nanjia
  • Journal of the American Chemical Society, Vol. 136, Issue 43, p. 15379-15385
  • DOI: 10.1021/ja508464w

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

High spectral resolution of gamma-rays at room temperature by perovskite CsPbBr3 single crystals
journal, April 2018


Strained hybrid perovskite thin films and their impact on the intrinsic stability of perovskite solar cells
journal, November 2017


Recombination in Perovskite Solar Cells: Significance of Grain Boundaries, Interface Traps, and Defect Ions
journal, April 2017


Iodide management in formamidinium-lead-halide–based perovskite layers for efficient solar cells
journal, June 2017


Recycling Perovskite Solar Cells To Avoid Lead Waste
journal, May 2016

  • Binek, Andreas; Petrus, Michiel L.; Huber, Niklas
  • ACS Applied Materials & Interfaces, Vol. 8, Issue 20
  • DOI: 10.1021/acsami.6b03767

Evidence and detailed study of a second-order phase transition in the (C 6 H 11 NH 3 ) 2 [PbI 4 ] organic-inorganic hybrid material
journal, March 2015

  • Yangui, A.; Pillet, S.; Garrot, D.
  • Journal of Applied Physics, Vol. 117, Issue 11
  • DOI: 10.1063/1.4915509

New Contributions to the Optics of Intensely Light-Scattering Materials Part I
journal, January 1948


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Optical Properties and Electronic Structure of Amorphous Germanium
journal, January 1966


Single-crystalline layered metal-halide perovskite nanowires for ultrasensitive photodetectors
journal, July 2018


High-performance direct conversion X-ray detectors based on sintered hybrid lead triiodide perovskite wafers
journal, June 2017

  • Shrestha, Shreetu; Fischer, René; Matt, Gebhard J.
  • Nature Photonics, Vol. 11, Issue 7
  • DOI: 10.1038/nphoton.2017.94

SHELXT – Integrated space-group and crystal-structure determination
journal, January 2015

  • Sheldrick, George M.
  • Acta Crystallographica Section A Foundations and Advances, Vol. 71, Issue 1, p. 3-8
  • DOI: 10.1107/S2053273314026370

Toward Lead-Free Perovskite Solar Cells
journal, November 2016


How transport layer properties affect perovskite solar cell performance: insights from a coupled charge transport/ion migration model
journal, January 2019

  • Courtier, Nicola E.; Cave, James M.; Foster, Jamie M.
  • Energy & Environmental Science, Vol. 12, Issue 1
  • DOI: 10.1039/C8EE01576G

Dimensionality engineering of hybrid halide perovskite light absorbers
journal, November 2018

  • Gao, Peng; Bin Mohd Yusoff, Abd Rashid; Nazeeruddin, Mohammad Khaja
  • Nature Communications, Vol. 9, Issue 1
  • DOI: 10.1038/s41467-018-07382-9

Low-temperature solution-processed wavelength-tunable perovskites for lasing
journal, March 2014

  • Xing, Guichuan; Mathews, Nripan; Lim, Swee Sien
  • Nature Materials, Vol. 13, Issue 5
  • DOI: 10.1038/nmat3911

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Hybrid Organic–Inorganic Halides (C 5 H 7 N 2 ) 2 MBr 4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission
journal, March 2019


Beyond methylammonium lead iodide: prospects for the emergent field of ns 2 containing solar absorbers
journal, January 2017

  • Ganose, Alex M.; Savory, Christopher N.; Scanlon, David O.
  • Chemical Communications, Vol. 53, Issue 1
  • DOI: 10.1039/C6CC06475B

Quantifying the Potential for Lead Pollution from Halide Perovskite Photovoltaics
journal, August 2015


Perovskite Solar Cells: Beyond Methylammonium Lead Iodide
journal, February 2015

  • Boix, Pablo P.; Agarwala, Shweta; Koh, Teck Ming
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 5
  • DOI: 10.1021/jz502547f

Electronegativity values from thermochemical data
journal, June 1961


Toxicity of organometal halide perovskite solar cells
journal, February 2016

  • Babayigit, Aslihan; Ethirajan, Anitha; Muller, Marc
  • Nature Materials, Vol. 15, Issue 3
  • DOI: 10.1038/nmat4572

Lead-free germanium iodide perovskite materials for photovoltaic applications
journal, January 2015

  • Krishnamoorthy, Thirumal; Ding, Hong; Yan, Chen
  • Journal of Materials Chemistry A, Vol. 3, Issue 47
  • DOI: 10.1039/C5TA05741H

Rapid and robust spatiotemporal dynamics of the first-order phase transition in crystals of the organic-inorganic perovskite (C12H25NH3)2PbI4
journal, November 2015

  • Yangui, Aymen; Sy, Mouhamadou; Li, Liang
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep16634

A critical review on tin halide perovskite solar cells
journal, January 2017

  • Konstantakou, Maria; Stergiopoulos, Thomas
  • Journal of Materials Chemistry A, Vol. 5, Issue 23
  • DOI: 10.1039/C7TA00929A

Structural phase transition causing anomalous photoluminescence behavior in perovskite (C 6 H 11 NH 3 ) 2 [PbI 4 ]
journal, December 2015

  • Yangui, A.; Pillet, S.; Mlayah, A.
  • The Journal of Chemical Physics, Vol. 143, Issue 22
  • DOI: 10.1063/1.4936776

Color-stable highly luminescent sky-blue perovskite light-emitting diodes
journal, August 2018


(CH 3 NH 3 ) 2 PdCl 4 : A Compound with Two-Dimensional Organic-Inorganic Layered Perovskite Structure
journal, January 2016

  • Huang, Tang Jiao; Thiang, Zhang Xian; Yin, Xuesong
  • Chemistry - A European Journal, Vol. 22, Issue 6
  • DOI: 10.1002/chem.201503680

Bulk crystal growth of hybrid perovskite material CH 3 NH 3 PbI 3
journal, January 2015

  • Dang, Yangyang; Liu, Yang; Sun, Youxuan
  • CrystEngComm, Vol. 17, Issue 3
  • DOI: 10.1039/C4CE02106A

Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites
journal, September 2018

  • Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël
  • Journal of the American Chemical Society, Vol. 140, Issue 40
  • DOI: 10.1021/jacs.8b08691

Structural Phase Transitions of the Polymorphs of CsSnI3 by Means of Rietveld Analysis of the X-Ray Diffraction
journal, May 1991

  • Yamada, Koji; Funabiki, Shinya; Horimoto, Hiromi
  • Chemistry Letters, Vol. 20, Issue 5, p. 801-804
  • DOI: 10.1246/cl.1991.801

Perovskite Solar Cells Go Lead Free
journal, December 2017


Solvent engineering for high-performance inorganic–organic hybrid perovskite solar cells
journal, July 2014

  • Jeon, Nam Joong; Noh, Jun Hong; Kim, Young Chan
  • Nature Materials, Vol. 13, Issue 9, p. 897-903
  • DOI: 10.1038/nmat4014

Organic-Inorganic Hybrid Materials as Semiconducting Channels in Thin-Film Field-Effect Transistors
journal, October 1999


Broadband Emission in Hybrid Organic–Inorganic Halides of Group 12 Metals
journal, December 2018


Thin Films and Solar Cells Based on Semiconducting Two-Dimensional Ruddlesden–Popper (CH 3 (CH 2 ) 3 NH 3 ) 2 (CH 3 NH 3 ) n −1 Sn n I 3 n +1 Perovskites
journal, April 2017


(C 6 H 5 C 2 H 4 NH 3 ) 2 GeI 4 : A Layered Two-Dimensional Perovskite with Potential for Photovoltaic Applications
journal, September 2017

  • Cheng, Pengfei; Wu, Tao; Zhang, Jiangwei
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 18
  • DOI: 10.1021/acs.jpclett.7b01985

High-efficiency perovskite–polymer bulk heterostructure light-emitting diodes
journal, November 2018


All-inorganic perovskite nanocrystal scintillators
journal, August 2018


Recent progress in organometal halide perovskite photodetectors
journal, January 2018


Optical Investigation of Broadband White-Light Emission in Self-Assembled Organic–Inorganic Perovskite (C 6 H 11 NH 3 ) 2 PbBr 4
journal, October 2015

  • Yangui, A.; Garrot, D.; Lauret, J. S.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 41
  • DOI: 10.1021/acs.jpcc.5b06211

Nanocrystalline Perovskite Hybrid Photodetectors with High Performance in Almost Every Figure of Merit
journal, December 2017

  • Lin, Yuanwei; Lin, Guoming; Sun, Baoyun
  • Advanced Functional Materials, Vol. 28, Issue 7
  • DOI: 10.1002/adfm.201705589

Synthesis and crystal structures of iodoplumbate chains, ribbons and rods with new structural types
journal, January 2001

  • Krautscheid, Harald; Lode, Christine; Vielsack, Frieder
  • Journal of the Chemical Society, Dalton Transactions, Issue 7
  • DOI: 10.1039/b009488i

Bis(pentane-1,5-diammonium) decaiodotriplumbate(II)
journal, April 2004

  • Billing, David G.; Lemmerer, Andreas
  • Acta Crystallographica Section C Crystal Structure Communications, Vol. 60, Issue 5
  • DOI: 10.1107/S0108270104007553

Control of the white-light emission in the mixed two-dimensional hybrid perovskites (C 6 H 11 NH 3 ) 2 [PbBr 4−x I x ]
journal, March 2017


Graphdiyne as a Host Active Material for Perovskite Solar Cell Application
journal, October 2018


Molecular engineering of perovskite photodetectors: recent advances in materials and devices
journal, January 2018

  • Yao, Fang; Gui, Pengbin; Zhang, Qi
  • Molecular Systems Design & Engineering, Vol. 3, Issue 5
  • DOI: 10.1039/C8ME00022K

Perovskite-based low-cost and high-efficiency hybrid halide solar cells
journal, January 2014


The resistivity of mixed valence compound Cs2Au2Cl6 at high pressure and low temperatures
journal, October 1974


Progress on lead-free metal halide perovskites for photovoltaic applications: a review
journal, March 2017

  • Hoefler, Sebastian F.; Trimmel, Gregor; Rath, Thomas
  • Monatshefte für Chemie - Chemical Monthly, Vol. 148, Issue 5
  • DOI: 10.1007/s00706-017-1933-9

Near-Unity Photoluminescence Quantum Yield in Blue-Emitting Cs 3 Cu 2 Br 5– x I x (0 ≤ x ≤ 5)
journal, February 2019

  • Roccanova, Rachel; Yangui, Aymen; Nhalil, Hariharan
  • ACS Applied Electronic Materials, Vol. 1, Issue 3
  • DOI: 10.1021/acsaelm.9b00015

Stability of Metal Halide Perovskite Solar Cells
journal, September 2015

  • Leijtens, Tomas; Eperon, Giles E.; Noel, Nakita K.
  • Advanced Energy Materials, Vol. 5, Issue 20
  • DOI: 10.1002/aenm.201500963

    Works referencing / citing this record:

    How transport layer properties affect perovskite solar cell performance: insights from a coupled charge transport/ion migration model
    journal, January 2019

    • Courtier, Nicola E.; Cave, James M.; Foster, Jamie M.
    • Energy & Environmental Science, Vol. 12, Issue 1
    • DOI: 10.1039/c8ee01576g

    All-inorganic perovskite nanocrystal scintillators
    journal, August 2018


    Fabrication of self-assembled palladium nanosheets using layered organic/inorganic hybrid as the template
    journal, December 2005


    Quantifying the Potential for Lead Pollution from Halide Perovskite Photovoltaics
    journal, August 2015


    Yellowish White-Light Emission Involving Resonant Energy Transfer in a New One-Dimensional Hybrid Material: (C 9 H 10 N 2 )PbCl 4
    journal, September 2018

    • Barkaoui, H.; Abid, H.; Yangui, A.
    • The Journal of Physical Chemistry C, Vol. 122, Issue 42
    • DOI: 10.1021/acs.jpcc.8b06850

    Band Gaps of the Lead-Free Halide Double Perovskites Cs 2 BiAgCl 6 and Cs 2 BiAgBr 6 from Theory and Experiment
    journal, June 2016

    • Filip, Marina R.; Hillman, Samuel; Haghighirad, Amir Abbas
    • The Journal of Physical Chemistry Letters, Vol. 7, Issue 13
    • DOI: 10.1021/acs.jpclett.6b01041

    Structural phase transition causing anomalous photoluminescence behavior in perovskite (C 6 H 11 NH 3 ) 2 [PbI 4 ]
    journal, December 2015

    • Yangui, A.; Pillet, S.; Mlayah, A.
    • The Journal of Chemical Physics, Vol. 143, Issue 22
    • DOI: 10.1063/1.4936776

    Attaining High Photovoltaic Efficiency and Stability with Multidimensional Perovskites
    journal, November 2018


    Low-temperature solution-processed wavelength-tunable perovskites for lasing
    journal, March 2014

    • Xing, Guichuan; Mathews, Nripan; Lim, Swee Sien
    • Nature Materials, Vol. 13, Issue 5
    • DOI: 10.1038/nmat3911

    Dimensionality engineering of hybrid halide perovskite light absorbers
    journal, November 2018

    • Gao, Peng; Bin Mohd Yusoff, Abd Rashid; Nazeeruddin, Mohammad Khaja
    • Nature Communications, Vol. 9, Issue 1
    • DOI: 10.1038/s41467-018-07382-9

    Toxicity of organometal halide perovskite solar cells
    journal, February 2016

    • Babayigit, Aslihan; Ethirajan, Anitha; Muller, Marc
    • Nature Materials, Vol. 15, Issue 3
    • DOI: 10.1038/nmat4572

    Structural Phase Transitions of the Polymorphs of CsSnI3 by Means of Rietveld Analysis of the X-Ray Diffraction
    journal, May 1991

    • Yamada, Koji; Funabiki, Shinya; Horimoto, Hiromi
    • Chemistry Letters, Vol. 20, Issue 5, p. 801-804
    • DOI: 10.1246/cl.1991.801

    Perovskite Solar Cells: Beyond Methylammonium Lead Iodide
    journal, February 2015

    • Boix, Pablo P.; Agarwala, Shweta; Koh, Teck Ming
    • The Journal of Physical Chemistry Letters, Vol. 6, Issue 5
    • DOI: 10.1021/jz502547f

    Electronegativity values from thermochemical data
    journal, June 1961


    Structural diversity and retro-crystal engineering analysis of iodometalate hybrids
    journal, January 2009

    • Mercier, Nicolas; Louvain, Nicolas; Bi, Wenhua
    • CrystEngComm, Vol. 11, Issue 5, p. 720-734
    • DOI: 10.1039/b817891g

    Graphdiyne as a Host Active Material for Perovskite Solar Cell Application
    journal, October 2018


    The resistivity of mixed valence compound Cs2Au2Cl6 at high pressure and low temperatures
    journal, October 1974


    High-efficiency perovskite–polymer bulk heterostructure light-emitting diodes
    journal, November 2018


    Mixed Valence Perovskite Cs 2 Au 2 I 6 : A Potential Material for Thin-Film Pb-Free Photovoltaic Cells with Ultrahigh Efficiency
    journal, February 2018

    • Debbichi, Lamjed; Lee, Songju; Cho, Hyunyoung
    • Advanced Materials, Vol. 30, Issue 12
    • DOI: 10.1002/adma.201707001

    Optical Properties and Electronic Structure of Amorphous Germanium
    journal, January 1966


    Stability of Metal Halide Perovskite Solar Cells
    journal, September 2015

    • Leijtens, Tomas; Eperon, Giles E.; Noel, Nakita K.
    • Advanced Energy Materials, Vol. 5, Issue 20
    • DOI: 10.1002/aenm.201500963

    Progress on lead-free metal halide perovskites for photovoltaic applications: a review
    journal, March 2017

    • Hoefler, Sebastian F.; Trimmel, Gregor; Rath, Thomas
    • Monatshefte für Chemie - Chemical Monthly, Vol. 148, Issue 5
    • DOI: 10.1007/s00706-017-1933-9

    A critical review on tin halide perovskite solar cells
    journal, January 2017

    • Konstantakou, Maria; Stergiopoulos, Thomas
    • Journal of Materials Chemistry A, Vol. 5, Issue 23
    • DOI: 10.1039/c7ta00929a

    Single-crystalline layered metal-halide perovskite nanowires for ultrasensitive photodetectors
    journal, July 2018


    Perovskite-based low-cost and high-efficiency hybrid halide solar cells
    journal, January 2014


    Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites
    journal, September 2018

    • Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël
    • Journal of the American Chemical Society, Vol. 140, Issue 40
    • DOI: 10.1021/jacs.8b08691

    Optical Investigation of Broadband White-Light Emission in Self-Assembled Organic–Inorganic Perovskite (C 6 H 11 NH 3 ) 2 PbBr 4
    journal, October 2015

    • Yangui, A.; Garrot, D.; Lauret, J. S.
    • The Journal of Physical Chemistry C, Vol. 119, Issue 41
    • DOI: 10.1021/acs.jpcc.5b06211

    Lead-free germanium iodide perovskite materials for photovoltaic applications
    journal, January 2015

    • Krishnamoorthy, Thirumal; Ding, Hong; Yan, Chen
    • Journal of Materials Chemistry A, Vol. 3, Issue 47
    • DOI: 10.1039/c5ta05741h

    Chemistry and structure in Acta Crystallographica Section C
    journal, January 2015


    Thin Films and Solar Cells Based on Semiconducting Two-Dimensional Ruddlesden–Popper (CH 3 (CH 2 ) 3 NH 3 ) 2 (CH 3 NH 3 ) n −1 Sn n I 3 n +1 Perovskites
    journal, April 2017


    Properties of CH 3 NH 3 PbX 3 (X = I, Br, Cl) Powders as Precursors for Organic/Inorganic Solar Cells
    journal, November 2014

    • Dimesso, L.; Dimamay, M.; Hamburger, M.
    • Chemistry of Materials, Vol. 26, Issue 23
    • DOI: 10.1021/cm503240k

    Cs 2 InAgCl 6 : A New Lead-Free Halide Double Perovskite with Direct Band Gap
    journal, January 2017

    • Volonakis, George; Haghighirad, Amir Abbas; Milot, Rebecca L.
    • The Journal of Physical Chemistry Letters, Vol. 8, Issue 4
    • DOI: 10.1021/acs.jpclett.6b02682

    Recombination in Perovskite Solar Cells: Significance of Grain Boundaries, Interface Traps, and Defect Ions
    journal, April 2017


    Near-Unity Photoluminescence Quantum Yield in Blue-Emitting Cs 3 Cu 2 Br 5– x I x (0 ≤ x ≤ 5)
    journal, February 2019

    • Roccanova, Rachel; Yangui, Aymen; Nhalil, Hariharan
    • ACS Applied Electronic Materials, Vol. 1, Issue 3
    • DOI: 10.1021/acsaelm.9b00015

    Computational Design of Two-Dimensional Perovskites with Functional Organic Cations
    journal, March 2018

    • Maheshwari, Sudeep; Savenije, Tom J.; Renaud, Nicolas
    • The Journal of Physical Chemistry C, Vol. 122, Issue 30
    • DOI: 10.1021/acs.jpcc.8b05715

    Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH 3 NH 3 ) 2 CdX 4 (X = Cl, Br, I)
    journal, November 2017


    Molecular engineering of perovskite photodetectors: recent advances in materials and devices
    journal, January 2018

    • Yao, Fang; Gui, Pengbin; Zhang, Qi
    • Molecular Systems Design & Engineering, Vol. 3, Issue 5
    • DOI: 10.1039/c8me00022k

    Degradation in perovskite solar cells stored under different environmental conditions
    journal, July 2017

    • Chauhan, Abhishek K.; Kumar, Pankaj
    • Journal of Physics D: Applied Physics, Vol. 50, Issue 32
    • DOI: 10.1088/1361-6463/aa7905

    Generalized Gradient Approximation Made Simple
    journal, October 1996

    • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
    • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
    • DOI: 10.1103/physrevlett.77.3865

    Under the spotlight: The organic–inorganic hybrid halide perovskite for optoelectronic applications
    journal, June 2015


    Broadband Emission in a New Two-Dimensional Cd-Based Hybrid Perovskite
    journal, January 2018


    Ultralarge All-Inorganic Perovskite Bulk Single Crystal for High-Performance Visible-Infrared Dual-Modal Photodetectors
    journal, May 2017

    • Song, Jizhong; Cui, Qingzhi; Li, Jianhai
    • Advanced Optical Materials, Vol. 5, Issue 12
    • DOI: 10.1002/adom.201700157

    Color-stable highly luminescent sky-blue perovskite light-emitting diodes
    journal, August 2018


    Toward Lead-Free Perovskite Solar Cells
    journal, November 2016


    (CH 3 NH 3 ) 2 PdCl 4 : A Compound with Two-Dimensional Organic-Inorganic Layered Perovskite Structure
    journal, January 2016

    • Huang, Tang Jiao; Thiang, Zhang Xian; Yin, Xuesong
    • Chemistry - A European Journal, Vol. 22, Issue 6
    • DOI: 10.1002/chem.201503680

    High-performance direct conversion X-ray detectors based on sintered hybrid lead triiodide perovskite wafers
    journal, June 2017

    • Shrestha, Shreetu; Fischer, René; Matt, Gebhard J.
    • Nature Photonics, Vol. 11, Issue 7
    • DOI: 10.1038/nphoton.2017.94

    Solvent engineering for high-performance inorganic–organic hybrid perovskite solar cells
    journal, July 2014

    • Jeon, Nam Joong; Noh, Jun Hong; Kim, Young Chan
    • Nature Materials, Vol. 13, Issue 9, p. 897-903
    • DOI: 10.1038/nmat4014

    Synthesis and crystal structures of iodoplumbate chains, ribbons and rods with new structural types
    journal, January 2001

    • Krautscheid, Harald; Lode, Christine; Vielsack, Frieder
    • Journal of the Chemical Society, Dalton Transactions, Issue 7
    • DOI: 10.1039/b009488i

    Strained hybrid perovskite thin films and their impact on the intrinsic stability of perovskite solar cells
    journal, November 2017


    Nanocrystalline Perovskite Hybrid Photodetectors with High Performance in Almost Every Figure of Merit
    journal, December 2017

    • Lin, Yuanwei; Lin, Guoming; Sun, Baoyun
    • Advanced Functional Materials, Vol. 28, Issue 7
    • DOI: 10.1002/adfm.201705589

    High spectral resolution of gamma-rays at room temperature by perovskite CsPbBr3 single crystals
    journal, April 2018


    New Contributions to the Optics of Intensely Light-Scattering Materials Part I
    journal, January 1948


    From ultrasoft pseudopotentials to the projector augmented-wave method
    journal, January 1999


    Perovskite Solar Cells Go Lead Free
    journal, December 2017


    Laser cooling of organic–inorganic lead halide perovskites
    journal, December 2015


    Broadband Emission in Hybrid Organic–Inorganic Halides of Group 12 Metals
    journal, December 2018


    Organic-Inorganic Hybrid Materials as Semiconducting Channels in Thin-Film Field-Effect Transistors
    journal, October 1999


    Fabrication of Lead-Free (CH 3 NH 3 ) 3 Bi 2 I 9 Perovskite Photovoltaics in Ethanol Solvent
    journal, September 2017


    Bandgap Narrowing in Bi-Doped CH 3 NH 3 PbCl 3 Perovskite Single Crystals and Thin Films
    journal, August 2017

    • Zhang, Zhan; Ren, Lixia; Yan, Hong
    • The Journal of Physical Chemistry C, Vol. 121, Issue 32
    • DOI: 10.1021/acs.jpcc.7b06248

    Lead-free solid-state organic–inorganic halide perovskite solar cells
    journal, May 2014

    • Hao, Feng; Stoumpos, Constantinos C.; Cao, Duyen Hanh
    • Nature Photonics, Vol. 8, Issue 6
    • DOI: 10.1038/nphoton.2014.82

    Solar cell efficiency tables (version 52)
    journal, June 2018

    • Green, Martin A.; Hishikawa, Yoshihiro; Dunlop, Ewan D.
    • Progress in Photovoltaics: Research and Applications, Vol. 26, Issue 7
    • DOI: 10.1002/pip.3040

    Perovskite Solar Cells and Devices at EPFL Valais Wallis
    journal, September 2016


    Broadband Emission with a Massive Stokes Shift from Sulfonium Pb–Br Hybrids
    journal, August 2017


    Rapid and robust spatiotemporal dynamics of the first-order phase transition in crystals of the organic-inorganic perovskite (C12H25NH3)2PbI4
    journal, November 2015

    • Yangui, Aymen; Sy, Mouhamadou; Li, Liang
    • Scientific Reports, Vol. 5, Issue 1
    • DOI: 10.1038/srep16634

    Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design
    journal, March 2016


    Thin-Film Preparation and Characterization of Cs 3 Sb 2 I 9 : A Lead-Free Layered Perovskite Semiconductor
    journal, August 2015


    Efficient room temperature aqueous Sb 2 S 3 synthesis for inorganic–organic sensitized solar cells with 5.1% efficiencies
    journal, January 2015

    • Gödel, Karl C.; Choi, Yong Chan; Roose, Bart
    • Chemical Communications, Vol. 51, Issue 41
    • DOI: 10.1039/c5cc01966d

    Air-Stable Molecular Semiconducting Iodosalts for Solar Cell Applications: Cs2SnI6 as a Hole Conductor
    journal, October 2014

    • Lee, Byunghong; Stoumpos, Constantinos C.; Zhou, Nanjia
    • Journal of the American Chemical Society, Vol. 136, Issue 43, p. 15379-15385
    • DOI: 10.1021/ja508464w

    SHELXT – Integrated space-group and crystal-structure determination
    journal, January 2015

    • Sheldrick, George M.
    • Acta Crystallographica Section A Foundations and Advances, Vol. 71, Issue 1, p. 3-8
    • DOI: 10.1107/s2053273314026370

    Bismuth Based Hybrid Perovskites A 3 Bi 2 I 9 (A: Methylammonium or Cesium) for Solar Cell Application
    journal, September 2015

    • Park, Byung-Wook; Philippe, Bertrand; Zhang, Xiaoliang
    • Advanced Materials, Vol. 27, Issue 43
    • DOI: 10.1002/adma.201501978

    Bulk crystal growth of hybrid perovskite material CH 3 NH 3 PbI 3
    journal, January 2015

    • Dang, Yangyang; Liu, Yang; Sun, Youxuan
    • CrystEngComm, Vol. 17, Issue 3
    • DOI: 10.1039/c4ce02106a

    (C 6 H 5 C 2 H 4 NH 3 ) 2 GeI 4 : A Layered Two-Dimensional Perovskite with Potential for Photovoltaic Applications
    journal, September 2017

    • Cheng, Pengfei; Wu, Tao; Zhang, Jiangwei
    • The Journal of Physical Chemistry Letters, Vol. 8, Issue 18
    • DOI: 10.1021/acs.jpclett.7b01985

    Recent progress in organometal halide perovskite photodetectors
    journal, January 2018


    Control of the white-light emission in the mixed two-dimensional hybrid perovskites (C 6 H 11 NH 3 ) 2 [PbBr 4−x I x ]
    journal, March 2017


    Organic-inorganic electronics
    journal, January 2001

    • Mitzi, D. B.; Chondroudis, K.; Kagan, C. R.
    • IBM Journal of Research and Development, Vol. 45, Issue 1
    • DOI: 10.1147/rd.451.0029

    Rb 4 Ag 2 BiBr 9 : A Lead-Free Visible Light Absorbing Halide Semiconductor with Improved Stability
    journal, February 2019


    Solution-processed hybrid perovskite photodetectors with high detectivity
    journal, November 2014

    • Dou, Letian; Yang, Yang (Micheal); You, Jingbi
    • Nature Communications, Vol. 5, Issue 1
    • DOI: 10.1038/ncomms6404

    Perovskite photonic sources
    journal, April 2016


    Electronic structure of the gold complexes Cs 2 Au 2 X 6 ( X =I, Br, and Cl)
    journal, March 1999


    Beyond methylammonium lead iodide: prospects for the emergent field of ns 2 containing solar absorbers
    journal, January 2017

    • Ganose, Alex M.; Savory, Christopher N.; Scanlon, David O.
    • Chemical Communications, Vol. 53, Issue 1
    • DOI: 10.1039/c6cc06475b

    Recycling Perovskite Solar Cells To Avoid Lead Waste
    journal, May 2016

    • Binek, Andreas; Petrus, Michiel L.; Huber, Niklas
    • ACS Applied Materials & Interfaces, Vol. 8, Issue 20
    • DOI: 10.1021/acsami.6b03767

    Iodide management in formamidinium-lead-halide–based perovskite layers for efficient solar cells
    journal, June 2017


    High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide
    journal, May 2016


    Synthesis and Properties of a Lead-Free Hybrid Double Perovskite: (CH 3 NH 3 ) 2 AgBiBr 6
    journal, January 2017


    Highly Stable, New, Organic-Inorganic Perovskite (CH 3 NH 3 ) 2 PdBr 4 : Synthesis, Structure, and Physical Properties
    journal, March 2018

    • Liu, Xixia; Huang, Tang Jiao; Zhang, Liuyang
    • Chemistry - A European Journal, Vol. 24, Issue 19
    • DOI: 10.1002/chem.201800062

    Cs2AgBiBr6 single-crystal X-ray detectors with a low detection limit
    journal, October 2017


    Evidence and detailed study of a second-order phase transition in the (C 6 H 11 NH 3 ) 2 [PbI 4 ] organic-inorganic hybrid material
    journal, March 2015

    • Yangui, A.; Pillet, S.; Garrot, D.
    • Journal of Applied Physics, Vol. 117, Issue 11
    • DOI: 10.1063/1.4915509

    Hybrid Perovskites for Photovoltaics: Charge-Carrier Recombination, Diffusion, and Radiative Efficiencies
    journal, December 2015


    Mixed Dimensional 2D/3D Hybrid Perovskite Absorbers: The Future of Perovskite Solar Cells?
    journal, December 2018

    • Krishna, Anurag; Gottis, Sébastien; Nazeeruddin, Mohammad Khaja
    • Advanced Functional Materials, Vol. 29, Issue 8
    • DOI: 10.1002/adfm.201806482

    High Detectivity and Rapid Response in Perovskite CsPbBr 3 Single-Crystal Photodetector
    journal, February 2017

    • Ding, Jianxu; Du, Songjie; Zuo, Zhiyuan
    • The Journal of Physical Chemistry C, Vol. 121, Issue 9
    • DOI: 10.1021/acs.jpcc.7b01171

    Two-Dimensional Hybrid Halide Perovskites: Principles and Promises
    journal, November 2018

    • Mao, Lingling; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.
    • Journal of the American Chemical Society, Vol. 141, Issue 3
    • DOI: 10.1021/jacs.8b10851

    Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    journal, July 1996


    Bis(pentane-1,5-diammonium) decaiodotriplumbate(II)
    journal, April 2004

    • Billing, David G.; Lemmerer, Andreas
    • Acta Crystallographica Section C Crystal Structure Communications, Vol. 60, Issue 5
    • DOI: 10.1107/s0108270104007553