Organic-Inorganic Halide Perovskite Photovoltaics: From Fundamentals to Device Architectures

366 Pages·2016·16.21 MB·English

by  Nam-Gyu Park

Nam-Gyu Park
Michael Grätzel
Tsutomu Miyasaka
Editors
Organic-
Inorganic Halide
Perovskite
Photovoltaics
From Fundamentals
to Device Architectures
Organic-Inorganic Halide Perovskite Photovoltaics
ä
Nam-Gyu Park Michael Gr tzel
(cid:129)
Tsutomu Miyasaka
Editors
Organic-Inorganic Halide
Perovskite Photovoltaics
From Fundamentals to Device Architectures
123
Editors
Nam-Gyu Park TsutomuMiyasaka
SungkyunkwanUniversity Graduate Schoolof Engineering
Suwon ToinUniversity of Yokohama
Korea,Republic of (SouthKorea) Yokohama
Japan
Michael Grätzel
ÉcolePolytechnique Fédérale deLausanne
Lausanne
Switzerland
ISBN978-3-319-35112-4 ISBN978-3-319-35114-8 (eBook)
DOI 10.1007/978-3-319-35114-8
LibraryofCongressControlNumber:2016942016
©SpringerInternationalPublishingSwitzerland2016
Thisworkissubjecttocopyright.AllrightsarereservedbythePublisher,whetherthewholeorpart
of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations,
recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission
orinformationstorageandretrieval,electronicadaptation,computersoftware,orbysimilarordissimilar
methodologynowknownorhereafterdeveloped.
The use of general descriptive names, registered names, trademarks, service marks, etc. in this
publicationdoesnotimply,evenintheabsenceofaspecificstatement,thatsuchnamesareexemptfrom
therelevantprotectivelawsandregulationsandthereforefreeforgeneraluse.
The publisher, the authors and the editors are safe to assume that the advice and information in this
book are believed to be true and accurate at the date of publication. Neither the publisher nor the
authorsortheeditorsgiveawarranty,expressorimplied,withrespecttothematerialcontainedhereinor
foranyerrorsoromissionsthatmayhavebeenmade.
Printedonacid-freepaper
ThisSpringerimprintispublishedbySpringerNature
TheregisteredcompanyisSpringerInternationalPublishingAGSwitzerland
Preface
Photovoltaics,convertinglighttoelectricity,areoneofmostpromisingalternatives
to fossil fuels. Since the discovery of photovoltaic effect from selenium by
19-year-old Edmund Becquerel in 1839, several kinds of photovoltaic materials
have been discovered and their photovoltaic performances have been studied.
Siliconstartedwithpowerconversionefficiency(PCE)of4.5%in1954,developed
by Bell Labs researchers Pearson, Chapin, and Fuller, which has now surpassed
25%. To date, the best PCE was found from GaAs, approaching 29% with single
junction structure. Chalcogenide materials such as CIGS and CdTe exhibited
promisingPCEsofabout 22%.Indeveloping solarcells,materials andprocessing
costs are as important as PCE. This means that new photovoltaic materials being
able to produce low-cost electricity are of crucial importance to both academy and
industry.
Organic–inorganic halide perovskite is very promising candidate for future
photovoltaic society because its PCE now reached over 22% that can be available
from inexpensive and high-throughput solution process. Halide perovskite photo-
voltaics were introduced in 2009 by Tsutomu Miyasaka and the currently studied
solid-state perovskite solar cells are based on the invention of solid-state
perovskite-sensitized solar cell in 2012 by Nam-Gyu Park and Michael Grätzel.
However, the origin of superb photovoltaic performance is still questionable.
Structural diversity is advantage in perovskite photovoltaics, but it is still arguable
which device structure is suitable for less I–V hysteresis and long-term stability.
Understandingfundamentalsanddevicearchitecturesmayleadtoanswerstothese
questions, which motivated us towritethis book. In Chaps.1 and 2, fundamentals
of halide perovskites are described based on theoretical point of view. Maximum
efficiency can be expected from Chap. 3. Device physics and ion migration
behavior in halide perovskite are understood in Chaps. 4 through 6. More under-
standingonchargetransportandinhibitionwillbeexpectedfromChaps.7and8.In
Chap. 9, device and materials engineering are described to achieve high-efficiency
perovskitesolarcells.I–VhysteresisandstabilityissueswillbetreatedinChap.10.
Perovskite solar cell is promising resource for hydrogen evolution due to
v
vi Preface
high-voltagecharacteristics,whichisdescribedinChap.11.Perovskiteisexcellent
light absorber even in organic bulk heterojunction-type solar cell, which is pre-
sentedinChap.12.Intrinsicflexibilityisoneofstrongpointsinhalideperovskite,
which is suitable for flexible solar cell as can be found in Chap. 13. Selective
contact materials are issued in terms of hysteresis and stability. Inorganic hole
transportinglayersmayprovideinsightintodeviceengineering,whichisdescribed
in Chap. 14. Since this book covers from fundamentals to device engineering, we
hope that this book contributes to both academy and industry.
Suwon, Korea, Republic of (South Korea) Nam-Gyu Park
Lausanne, Switzerland Michael Grätzel
Yokohama, Japan Tsutomu Miyasaka
Contents
Molecular Motion and Dynamic Crystal Structures of Hybrid Halide
Perovskites. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
Jarvist M. Frost and Aron Walsh
First-Principles Modeling of Organohalide Thin Films
and Interfaces. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19
Edoardo Mosconi, Thibaud Etienne and Filippo De Angelis
Maximum Efficiency and Open-Circuit Voltage of Perovskite Solar
Cells. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53
Wolfgang Tress
Defect Physics of CH NH PbX (X = I, Br, Cl) Perovskites. . . . . . . . . . 79
3 3 3
Yanfa Yan, Wan-Jian Yin, Tingting Shi, Weiwei Meng
and Chunbao Feng
Ionic Conductivity of Organic–Inorganic Perovskites:
Relevance for Long-Time and Low Frequency Behavior. . . . . . . . . . . . 107
Giuliano Gregori, Tae-Youl Yang, Alessandro Senocrate,
Michael Grätzel and Joachim Maier
Ion Migration in Hybrid Perovskite Solar Cells . . . . . . . . . . . . . . . . . . 137
Yongbo Yuan, Qi Wang and Jinsong Huang
Impedance Characteristics of Hybrid Organometal Halide
Perovskite Solar Cells. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163
Juan Bisquert, Germà Garcia-Belmonte and Antonio Guerrero
Charge Transport in Organometal Halide Perovskites . . . . . . . . . . . . . 201
Francesco Maddalena, Pablo P. Boix, Chin Xin Yu, Nripan Mathews,
Cesare Soci and Subodh Mhaisalkar
APbI (A = CH NH and HC(NH ) ) Perovskite Solar Cells:
3 3 3 2 2
From Sensitization to Planar Heterojunction . . . . . . . . . . . . . . . . . . . . 223
Jin-Wook Lee, Hui-Seon Kim and Nam-Gyu Park
vii
viii Contents
Hysteresis Characteristics and Device Stability. . . . . . . . . . . . . . . . . . . 255
Ajay Kumar Jena and Tsutomu Miyasaka
Perovskite Solar Cells for the Generation of Fuels from Sunlight . . . . . 285
Jingshan Luo, Matthew T. Mayer and Michael Grätzel
Inverted Planar Structure of Perovskite Solar Cells . . . . . . . . . . . . . . . 307
Jingbi You, Lei Meng, Ziruo Hong, Gang Li and Yang Yang
Flexible Perovskite Solar Cell . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 325
Byeong Jo Kim and Hyun Suk Jung
Inorganic Hole-Transporting Materials for Perovskite Solar Cell . . . . . 343
Seigo Ito
Molecular Motion and Dynamic Crystal
Structures of Hybrid Halide Perovskites
Jarvist M. Frost and Aron Walsh
1 Introduction
Whileinorganicleadhalideshavebeenstudiedsincethenineteenthcentury[1]and
organic–inorganic halides have been of interest since the early twentieth century,
[2]thefirstreportofperovskite-structuredhybridhalidecompoundswasstudiedby
Weber in 1978 [3, 4]. He reported both CH NH PbX (X = Cl, Br, I) and the
3 3 3
CH NH SnBr I alloy.Inthesubsequentdecades,thesematerialswerestudiedin
3 3 1-x x
the context of their unusual chemistry and physics, [5–7] with the first solar cell
appearing in 2009 [8].
Thenotableachievementsinthephotovoltaicapplicationsofhybridperovskites
have been the subject of many reviews. In this chapter we introduce the basics of
the perovskite crystal structure and present the unique dynamic behaviour of the
hybrid organic–inorganic materials, which underpins their performance in photo-
voltaic devices that will be discussed in the later chapters. The text is drawn from
several of our earlier publications and perspectives [9–18].
2 Perovskite
The word ‘perovskite’ refers to the mineral form of CaTiO . It adopts a crystal
3
structure consistingof corner-sharing TiO octahedrainthree dimensions,with Ca
6
occupying the cuboctahedral cavity in each unit cell. The same crystal structure is
alsofoundforawiderangeofmaterialswithABX stoichiometry,withtwonotable
3
cases being SrTiO and BaTiO . Examples of insulating, semiconducting and
3 3
J.M.Frost(cid:1)A.Walsh(&)
DepartmentofChemistry,CentreforSustainableChemicalTechnologies,
UniversityofBath,ClavertonDown,BathBA27AY,UK
e-mail:[email protected]
©SpringerInternationalPublishingSwitzerland2016 1
N.-G.Parketal.(eds.),Organic-InorganicHalidePerovskitePhotovoltaics,
DOI10.1007/978-3-319-35114-8_1
2 J.M.FrostandA.Walsh
superconductingperovskitestructuredmaterialsareknown.Thesematerialsarethe
archetypal systems for phases transitions with accessible cubic, tetragonal,
orthorhombic, trigonal and monoclinic polymorphs depending on the tilting and
rotation of the BX polyhedra in the lattice [19]. Reversible phase changes can be
3
inducedbyarangeofexternalstimuliincludingtemperature,pressureandmagnetic
or electric fields.
WithintheformalstoichiometryofABX ,chargebalancing(qAþqBþ3qX ¼0)
3
canbeachievedinavarietyofways.Formetaloxideperovskites(ABO ),theformal
3
oxidationstates ofthetwometalsmustsumtosix(qAþqB ¼(cid:3)3qO ¼6).I-V-O ,
3
II-IV-O andIII-III-O perovskitesareknownwithcommonexamplesbeingKTaO ,
3 3 3
SrTiO and GdFeO . The range of accessible materials can be extended by partial
3 3
substitutionontheanionsublattice,e.g.intheformationofoxynitrideandoxyhalide
perovskites. With substitution on the metal sublattice, double, triple and quadruple
perovskitescanbeformed.
Forhalideperovskites,theoxidationstatesofthetwocationsmustsumtothree
(qAþqB ¼(cid:3)3qX ¼3), so the only viable ternary combination is I-II-X , e.g.
3
CsSnI . In hybrid halide perovskites such as CH NH PbI , a divalent inorganic
3 3 3 3
cationispresentandthemonovalentmetalisreplacedbyanorganiccationofequal
charge as illustrated in Fig. 1. In principle, any molecular cation could be used,
oncethereissufficientspacetofititwithinthecavity.Ifthecationsizeistoolarge,
then the three-dimensional (3D) perovskite network is broken, as demonstrated in
theseriesofhybrid structureswith lowerdimensionality intheinorganic networks
[20]. For layered structures, the crystal properties become highly anisotropic with
larger carrier masses and stronger exciton binding energies.
The stability of heteropolar crystals such as perovskites is influenced by the
Madelung electrostatic potential. The lattice energy and site electrostatic potentials
are explored for each stoichiometry in Table 1. These are calculated with a lattice
summation of the formal ion charges [10]. For group VI anions (oxides and
chalcogenides), the lattice energy decreases as the charge imbalance between the
A and B sites is removed: a lower charge on the A site is favoured. However, for
groupVIIanions(i.e.halides)theelectrostaticstabilisationisreduced,withalattice
energy of just –29.71 eV/cell and an electrostatic potential on the anion site ca.
50 % of the group VI anions. Due to this weaker potential, lower solid-state ion-
isation potentials (electron removal energies) are expected for halide perovskites
compared to, for example, metal oxides.
3 Average Crystal Structure
Wenowconsiderthedetailedcrystalstructureofthehybridcompoundsofprimary
interestforapplicationinsolarcells.Forbrevity,werefertothemethylammonium
compound CH NH PbI as MAPI and the formamidinium compound [CH(NH ) ]
3 3 3 2 2
PbI as FAPI.
3