Emerging inorganic materials in thin-film photovoltaics

Emerging inorganic materials in thin-film photovoltaics

4-6 July 2022, Bath, UK and Online Emerging inorganic materials in thin-film photovoltaics #FDPhotovoltaics

Book of Abstracts

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Introduction

Emerging inorganic materials in thin-film photovoltaics Faraday Discussion is organised by the Faraday Division of the Royal Society of Chemistry This book contains abstracts of the 26 posters presented at Emerging inorganic materials in thin-film photovoltaics Faraday Discussion . All abstracts are produced directly from typescripts supplied by authors. Copyright reserved. Oral presentations and discussions All delegates at the meeting, not just speakers, have the opportunity to make comments, ask questions, or present complementary or contradictory measurements and calculations during the discussion. If it is relevant to the topic, you may give a 5 minute presentation of your own work during the discussion. These remarks are published alongside the papers in the final volume and are fully citable. If you would like to present slides during the discussion please let the session chair know and load them onto the computer in the break before the start of the session. Faraday Discussion Volume Copies of the Discussion Volume will be distributed approximately 6 months after the meeting. To expedite this, it is essential that summaries of contributions to the discussion are received no later than Wednesday 13 July for questions and comments and Wednesday 27 July for responses. Posters Posters have been numbered consecutively: P01-P26 The poster session will take place: The posters will be available to view throughout the discussion by clicking on the link in the virtual lobby. During the dedicated poster sessions, the authors will be available to use the networking functions in the virtual lobby. Use the inbox in the top light blue bar of the virtual lobby screen to send the poster presenter a message or request a video call with them by clicking on their name in the networking section at the bottom of the screen. If you are a poster presenter, please ensure that you are logged into the poster room assigned to your poster number in the lobby. Poster Prize The Faraday Discussions poster prize will be awarded to the best student poster as judged by the committee. Networking sessions There will be regular breaks throughout the meeting for socialising, networking and continuing discussions started during the scientific sessions. During the networking sessions you will be able to join existing networking rooms or initiate one-to-one chats. In Person: Monday 4 July at 16.30 BST Virtually: Tuesday 5 July at 12:00 BST Existing networking rooms will be visible from the virtual lobby. To create a one-to-one chat, simply click on the name of the person you would like to speak to and select if you would like to have a private or public conversation. For a public conversation, other delegates can join your chat room. With thanks to our exhibitor

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Scientific Committee

Invited Speakers

David Fermin (Chair) University of Bristol, UK

David Mitzi (Introductory lecture) Duke University, USA

David Scanlon (Co-chair) University College London, UK Jake Bowers University of Loughborough, UK Susan Schorr Helmholtz Zentrum Berlin, Germany

Aron Walsh (Closing remarks lecture) Imperial College London, UK

Mirjana Dimitrievska École Polytechnique Fédérale de Lausanne (EPFL), Switzerland

Charlotte Platzer-Bjorkman Uppsala University, Sweden

Jonathan Scragg University of Uppsala, Sweden

Byungha Shin KAIST, South Korea

Thomas Weiss University of Luxembourg, Luxembourg

Susanne Siebentritt Université du Luxembourg, Luxembourg

Jiang Tang Huazhong University of Science and Technology, China

Thomas Unold Helmholtz Zentrum Berlin, Germany

Faraday Discussions Forum

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In order to record the discussion at the meeting, which forms part of the final published volume, your name and e-mail address will be stored in the Faraday Forum. This information is used for the collection of questions and responses communicated during each session. After each question or comment you will receive an e-mail which contains some keywords to remind you what you asked, and your password information for the forum. The e-mail is not a full record of your question. You need to complete your question in full on the forum. The deadline for completing questions and comments is Wednesday 13 July.

The question number in the e-mail keeps you a space on the forum. Use the forum to complete, review and expand on your question or comment. Figures and attachments can be uploaded to the forum. If you want to ask a question after the meeting, please e-mail [email protected]. Once we have received all questions and comments, responses will be invited by e-mail. These must also be completed on the forum. The deadline for completing responses is Wednesday 27 July. Please note that when using the Forum to submit a question or reply, your name and registered e-mail address will be visible to other delegates registered for this Faraday Discussions meeting. Key points: • The e-mail is not a full record of your comment/question. • All comments and responses must be completed in full on the forum Deadlines: Questions and comments Wednesday 13 July Responses Wednesday 27 July

Poster presentations

P01

Band gap engineering of atomic layer deposited ZnxSn 1-x O buffer for efficient Cu(In,Ga)Se 2 solar cells Raphael Agbenyeke University of Bristol, UK Dual band gap grading strategies for high efficiency kesterite based thin film solar cells Jacob Antonio Andrade Arvizu Institut de Recerca en Energia de Catalunya (IREC), Spain

P02

P03

Zn 2 SbN 3-y O y : a new metastable photoactive material Elisabetta Arca Newcastle University, UK Alternative partner layer for thin film solar cells Nicole Fleck Northumbria University, UK

P05

P06

Low-temperature, solution-based synthesis of chalcogenide perovskites Chuck Hages University of Florida, USA Solar absorbers using CZTS nanocrystals: new insights in their properties from Raman spectroscopy Yevhenii Havryliuk Chemnitz University of Technology, Germany

P07

P08

Sn-doping for p-type Sb 2 Se 3 absorber solar cells Theodore Hobson University of Liverpool, UK

P09

Optimizations of Cs/Zr-supported TiO 2 nanostructures in electron transport layer to enhance the performance of perovskite solar cells Dr. H. M. Asif Javed University of Agriculture, Faisalabad, Pakistan Following the reaction: computational spectroscopy of chalcogenide perovskite BaZrS 3 Prakriti Kayastha Northumbria University, UK

P10

P11

Bandgap tuning in Sn(Ti,Zr)Se 3 chalcogenide perovskite by cationic substitution Rokas Kondrotas Center for Physical Sciences and Technology, Lithuania

P12

Se diffusion in CdSeTe photovoltaics Jacob Frank Leaver University of Liverpool, UK

P13

Lone-pair driven ferroelectric and piezoelectric response of germanium halide perovskites CsGeX 3 (X = Cl, Br, and I) Jiwoo Lee Imperial College London, UK Effect of Sb 2 Se 3 grain orientation on device efficiency, and evidence of the self-healing mechanism through structural relaxation. Roy Lomas-Zapata Durham University, UK Application of novel low-cost and transparent hole conductors with long-term stability in ultrasonic spray deposited Sb 2 S 3 -based solar cells Sreekanth Mandati Tallinn University of Technology, Estonia Want to improve on structural disorder in Cu-based quaternary chalcogenides? Let’s look at the divalent cation! David Matzdorff Helmholtz-Zentrum Berlin für Materialien und Energie, Germany Improved stability and electrical properties in CsPbIBr 2 thin films through magnesium and acetate co-doping Ahmet Nazligul University College London, UK Unravelling the impact of disorder on the electronic properties of mixed- metal chalcohalides Adair Nicolson University College London, UK The role of different window layers in Sb 2 Se 3 -based thin film solar cell Stefano Pasini Università degli studi di Parma, Italy

P14

P15

P16

P17

P18

P19

P20

Grain size control of novel photoferroic absorber bournonite (CuPbSbS 3 ) Oliver Rigby Durham University, UK Dopability in earth abundant chalcogenide absorbers: insights from computation Christopher Savory University College London, UK Surface electronic characterisation of Cu 2 ZnSn(S,Se) 4 Films prepared from Sn(II) and Sn(IV) precursor sources Alice Sheppard University of Bristol, UK Lone pair driven anisotropy in antimony chalcogenide semiconductors Xinwei Wang Imperial College London, UK Electrodeposition of mesoporous CdTe through an inverse cubic lyotropic liquid crystal template Joshua White University of Southampton/Diamond Light Source/ISIS Neutron and Muon Source, UK Inhomogeneous defect distributions in mixed-polytype metal halide perovskites Young-Won Woo Yonsei University, South Korea Correlative raman and SEM-EDX investigation of sputtered chalcogenide perovskite BaZrS 3 Hasan Arif Yetkin University of Luxembourg, Luxembourg

P21

P22

P23

P24

P25

P26

Band gap engineering of atomic layer deposited Zn x Sn 1-x O buffer for efficient Cu(In,Ga)Se 2 solar cells Raphael Edem Agbenyeke 1,2 , Soomin Song 3 , Bo Keun Park 2 , Gun Hwan Kim 2 , Jae Ho Yun 3 , Taek-Mo Chung 2 , Chang Gyoun Kim 2 , Jeong Hwan Han 4 , David J. Fermin 1 1 University of Bristol, UK, 2 Division of Advanced Materials, Korea Research Institute of Chemical Technology(KRICT), Republic of Korea, 3 Photovoltaics Laboratory, Korea Institute of Energy Research (KIER), Republic of Korea, 4 Department of Materials Science and Engineering, Seoul National University of Science and Technology, Republic of Korea Ternary zinc tin oxide (ZTO) is an attractive buffer material with the promising potential of replacing the n -CdS buffer in chalcocite and kesterite solar cells. Besides its non-toxic elemental composition, it offers important electrical and optical/bandgap engineering opportunities that are yet to be fully explored. In this study, ZTO thin films were grown by atomic layer deposition and systematically characterized with the aim of establishing correlations between film compositions and properties. Using a series of characterization techniques, the effect of Zn/Sn ratio on film growth rate, crystal structure, majority carrier concentrations and optical band gap was uncovered. Most importantly, a parabolic correlation was observed between bandgap and Zn/Sn composition, which allowed for band offset tuning in CIGSe solar cells. Device Voc’s increased by more than twofold from 299 mV for a pure ZnO buffer to 627 mV for ZTO buffer with 16 atomic percent of Sn. Band alignment studies revealed an upward shift in conduction band minimum of ZTO with Sn incorporation, which favors the formation of a spike-type conduction band offset at the CIGSe/ZTO interface and reduces interfacial recombination. The 13.9% champion conversion efficiency of the ZTO incorporated cell relative to the 14.4 % of the CdS reference cell highlighted the promising potential of ZTO buffer layers. References 1. Lee Y. S, Heo J, Siah S.C, et al. Ultrathin amorphous zinc-tin-oxide bufferlayer for enhancing heterojunction interface quality in metal-oxidesolar cells.Energ. Environ. Sci. 2013;6(7):2112-2118. 2. Wei J, Yin Z, Chen S.C, Zheng Q. Low-temperature solution-processedzinc tin oxide film as a cathode interlayer for organic solar cells.ACSAppl.Mater.Interfaces. 2017;9(7):6186−6193. 3. Gorrn P, Ghaffari F, Riedl T, Kowalsky W. Zinc tin oxide based driverfor highly transparent active-matrix OLED displays.Solid- State Electron.2009;53(3):329-331.

P01

© The Author(s), 2022

Dual band gap grading strategies for high efficiency kesterite based thin film solar cells Jacob Andrade-Arvizu 1* , V. Izquierdo-Roca 1 ,Z. Jehl Li-Kao 2 , C. Malerba 3 , D. Sylla 1 , R. Fonoll-Rubio 1 , M. Guc 1 , M. Placidi 1,2 , M. Courel 4 , O. Vigil-Galán 5 , Y. Sánchez 1 , E. Saucedo 2 , and A. Pérez-Rodríguez 1,6 1 Institut de Recerca en Energia de Catalunya (IREC), Spain, 2 Photovoltaic Group, Spain, 3 Agenzia nazionale per le nuove tecnologie, Italy, 4 Centro Universitario de los Valles (CUValles), México, 5 Escuela Superior de Física y Matemáticas, Instituto Politécnico Nacional (ESFM-IPN), Mexico, 6 Institute of Nanoscience and Nanotechnology (IN 2 UB), Spain Renewable energy supplies based on thin film solar cells and focused on sustainable materials such as kesterite (CZTS) could perform very successfully in a wide variety of energy application scenarios. This is due to its potential to be deposited on flexible substrates, its aesthetics and selective transparency for integrations in construction and automotive industrial sectors. As well as its use in new energy concepts such as agrovoltaics or energetic portability concepts like the Internet of Things (IoT). The current kesterite devices hinder the potential energy conversion efficiencies of a single absorber layer PN junction. Therefore, the next generation of kesterite and chalcopyrite solar cells power energy efficiency improvements may be enhanced after developing novel and more strategic methodologies for collecting photon energy. Thus, the graded bandgap profiling in kesterite is proposed as a sustainable strategy to improve the Solar spectrum utilization, through the generation of internal quasi-electric fields situated along the thin films, increasing the drift and diffusion length of the minority charge carriers and finally improving the power conversion efficiency of the photovoltaic device. Hence, this work develops advanced material synthesis techniques and surface characterization, which, when integrated with the structural complexity of double graded bandgap profiles in kesterite (CZTGSSe) thin films, allow Nature to reveal several disruptive and novel properties of matter, deliberately manipulable when working in conditions out-of- thermodynamic equilibrium. References 1. Illya Prigogine. Irreversibility and randomness. Astrophys. Space Sci. 65, 371–381 (1979) 2. I. Prigogine, I. Stengers.Order out of chaos: man’s new dialogue with nature. Boulder, CO, New Science Library (1984) 3. R Benzi,G Paladin,G ParisiandA Vulpiani. On the multifractal nature of fully developed turbulence and chaotic systems J. Phys. A: Math. Gen. 17 3521 (1984) 4. Mehran Kardar, Giorgio Parisi, and Yi-Cheng Zhang. Dynamic Scaling of Growing InterfacesPhys. Rev. Lett. 56 , 889 (1986) 5. Jacob Andrade-Arvizu, Víctor Izquierdo-Roca, Ignacio Becerril-Romero, Pedro Vidal-Fuentes, Robert Fonoll-Rubio, Yudania Sánchez, Marcel Placidi, Lorenzo Calvo-Barrio, Osvaldo Vigil-Galán, and Edgardo Saucedo.Is It Possible To Develop Complex S–Se Graded Band Gap Profiles in Kesterite-Based Solar Cells? ACS Applied Materials & Interfaces 11(36), 32945-32956 (2019)

P02

© The Author(s), 2022

Zn 2 SbN 3-y O y : a new metastable photoactive material Elisabetta Arca 1,2 , Stephan Lany 2 ,Wenhao Sun 3 , Gerbrand Ceder 3 , Andry Zakutayev 2 1 Newcastle University, UK, 2 Materials Science Center, Colorado USA, 3 Lawrence Berkeley National Laboratory, California USA Wurtize (WZ)-derived ternary nitrides are an interesting class of materials for optoelectronic application. A subset of these, constitutes the Zn-based ternary nitrides in wurtzite derived structure. Peculiar to this family of materials is their ability to accommodate large cation off-stoichiometry, but also large anion off-stoichiometry to the extent that these materials might be more appropriately called oxynitrides. An example of this is the Zn 3 MoN 4 -ZnMoN 2 system, where cation off-stoichiometry enables a continuous tuning of the composition between the two end points, while retaining the WZ structure, through a process that we defined as redox-mediatedstabilisation[1]. Most of the cations in the periodic table have been reported to form nitrides as either a monometallic or bimetallic compound. An exception to this rule was represented by antimony: M-Sb-N ternary compounds where Sb is acting as an anion are known, whereas the discovery of a ternary nitride where Sb is acting as a cation is far more recent.In this contribution, I will present the theoretical search for new ternary nitrides which lead to the discovery of the first ternary antimony nitrideZn 2 SbN 3 where antimony is a cation [2]. A >Page 1 Page 2 Page 3 Page 4 Page 5 Page 6 Page 7 Page 8 Page 9 Page 10 Page 11 Page 12 Page 13 Page 14 Page 15 Page 16 Page 17 Page 18 Page 19 Page 20 Page 21 Page 22 Page 23 Page 24 Page 25 Page 26 Page 27 Page 28 Page 29 Page 30 Page 31 Page 32 Page 33 Page 34

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