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18 Sep 01:09

[ASAP] Efficient and Stable Solid-State Dye-Sensitized Solar Cells by the Combination of Phosphonium Organic Ionic Plastic Crystals with Silica

by Annkatrin Lennert, Klaudia Wagner, Ruhamah Yunis, Jennifer M. Pringle, Dirk M. Guldi, David L. Officer

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ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.8b12334
18 Sep 01:08

[ASAP] Quantum-Cutting Ytterbium-Doped CsPb(Cl1–xBrx)3 Perovskite Thin Films with Photoluminescence Quantum Yields over 190%

by Daniel M. Kroupa, Joo Yeon Roh, Tyler J. Milstein, Sidney E. Creutz, Daniel R. Gamelin

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ACS Energy Letters
DOI: 10.1021/acsenergylett.8b01528
18 Sep 01:07

Covering effect of conductive glass: a facile route to tailor the grain growth of hybrid perovskites for highly efficient solar cells

J. Mater. Chem. A, 2018, 6,20289-20296
DOI: 10.1039/C8TA07043A, Paper
Deli Shen, Haijuan Mao, Yafeng Li, Antonio Abate, Mingdeng Wei
A feasible and facile method to control the nucleation and growth process of perovskite grains is introduced for conductive glass to assist the perovskite film annealing process, and a maximum PCE of 18.08% can be achieved in the ultimately formed perovskite solar cell.
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18 Sep 01:07

Bifunctional donor polymers bearing amino pendant groups for efficient cathode interlayer-free polymer solar cells

J. Mater. Chem. A, 2018, 6,19828-19833
DOI: 10.1039/C8TA06669H, Paper
Xuan Liu, Ping Fu, Dandan Tu, Qing Yang, Shuwen Yu, Xin Guo, Can Li
A new series of amino-functionalized polymers PBDT-Nx was synthesized and used as bifunctional donor materials for light harvesting and cathode modification at the same time, exhibiting remarkable photovoltaic behaviors with highest efficiency for cathode interlayer-free polymer solar cells to date.
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18 Sep 01:06

Narrow bandgap semiconductor decorated wood membrane for high-efficiency solar-assisted water purification

J. Mater. Chem. A, 2018, 6,18839-18846
DOI: 10.1039/C8TA05924A, Communication
Hanwen Liu, Chaoji Chen, Huang Wen, Ruixue Guo, Nick A. Williams, Baodui Wang, Fengjuan Chen, Liangbing Hu
The solar evaporator combining narrow bandgap semiconductor nanoparticles with wood substrate exhibits high efficiency for sea water desalination.
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18 Sep 01:06

Optical Lithography Patterning of SiO2 Layers for Interface Passivation of Thin Film Solar Cells

by Sourav Bose , José M. V. Cunha , Sunil Suresh , Jessica De Wild , Tomás S. Lopes , João R. S. Barbosa , Ricardo Silva , Jérôme Borme , Paulo A. Fernandes , Bart Vermang , Pedro M. P. Salomé
Solar RRL Optical Lithography Patterning of SiO2 Layers for Interface Passivation of Thin Film Solar Cells

Interface passivation of ultrathin Cu(In,Ga)Se2 solar cells is important to achieve enhanced performance of solar cells. The potential of SiO2 as a passivation layer and the implementation of nano‐patterning (production of sub‐micrometer contacts) on SiO2 by optical lithography is investigated. Co‐relation between the dimensions of sub‐micrometer contacts and its implications on performance of the ultrathin passivated solar cells is thoroughly investigated.


Ultrathin Cu(In,Ga)Se2 solar cells are a promising way to reduce costs and to increase the electrical performance of thin film solar cells. An optical lithography process that can produce sub‐micrometer contacts in a SiO2 passivation layer at the CIGS rear contact is developed in this work. Furthermore, an optimization of the patterning dimensions reveals constrains over the features sizes. High passivation areas of the rear contact are needed to passivate the CIGS interface so that high performing solar cells can be obtained. However, these dimensions should not be achieved by using long distances between the contacts as they lead to poor electrical performance due to poor carrier extraction. This study expands the choice of passivation materials already known for ultrathin solar cells and its fabrication techniques.

18 Sep 01:05

Oxygen Defect Modulated Titanium Niobium Oxide on Graphene Arrays: An Open‐Door for High‐Performance 1.4 V Symmetric Supercapacitor in Acidic Aqueous Electrolyte

by Xiyue Zhang , Shengjue Deng , Yinxiang Zeng , Minghao Yu , Yu Zhong , Xinhui Xia , Yexiang Tong , Xihong Lu
Advanced Functional Materials, EarlyView.
17 Sep 00:54

[ASAP] Nanostructured Heterojunction Solar Cells Based on Pb2SbS2I3: Linking Lead Halide Perovskites and Metal Chalcogenides

by Riming Nie, Bohyung Kim, Seung-Tack Hong, Sang Il Seok

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ACS Energy Letters
DOI: 10.1021/acsenergylett.8b01332
17 Sep 00:53

Robust nanoscale contact of silver nanowire electrodes to semiconductors to achieve high performance chalcogenide thin film solar cells

Publication date: November 2018

Source: Nano Energy, Volume 53

Author(s): Sangyeob Lee, Jun Su Lee, Jiseong Jang, Ki-Ha Hong, Doh-Kwon Lee, Soomin Song, Kihwan Kim, Young-Joo Eo, Jae Ho Yun, Jihye Gwak, Choong-Heui Chung

Abstract

We demonstrate the ability to fabricate high-quality nanoscale electrical contact between silver nanowires (AgNWs) and underlying semiconducting layers in chalcogenide thin film solar cells. AgNW electrodes have attracted many interests due to their ability for low temperature solution processing. However, they have a drawback that the interfacial defects can be generated between AgNWs and underlying rugged semiconductor layers making it difficult to form high-quality junction. To enhance the junction properties, conducting matrix layers have been adapted. Yet, the issues regarding the AgNW/semiconductor junction have not been fully resolved. We developed a facile method to form robust nanoscale contact between AgNWs and semiconducting thin films to achieve high performance chalcogenide thin film solar cells. The method is to deposit an ultra-thin semiconductor layer on devices using aqueous chemical bath deposition. The chemical bath deposition has capability to effectively fill even nanoscale gap and to form chemically stable bonds as well as an intimate junction. As a proof of concept, a CdS layer (~ 10 nm) was deposited using the chemical bath deposition on Cu(In,Ga)Se2 (CIGS) solar cells with a structure of AgNW/CdS/CIGS/Mo/Glass. We also identified that the key factor governing the current-voltage characteristic is the electrical contact between the AgNW electrode and the CdS buffer layer in CIGS thin film solar cells. The power conversion efficiency of the CIGS cell was dramatically improved from 4.9% to 14.2% owing to high-quality AgNW-CdS electrical contact produced by chemical bath deposition of the additional CdS layer as thin as 10 nm.

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17 Sep 00:52

Intermolecular Exchange Boosts Efficiency of Air‐Stable, Carbon‐Based All‐Inorganic Planar CsPbIBr2 Perovskite Solar Cells to Over 9%

by Weidong Zhu , Qianni Zhang , Dazheng Chen , Zeyang Zhang , Zhenhua Lin , Jingjing Chang , Jincheng Zhang , Chunfu Zhang , Yue Hao
Advanced Energy Materials, Volume 8, Issue 30, October 25, 2018.
17 Sep 00:51

A Fused Ring Electron Acceptor with Decacyclic Core Enables over 13.5% Efficiency for Organic Solar Cells

by Dan He , Fuwen Zhao , Jingming Xin , Jeromy James Rech , Zhixiang Wei , Wei Ma , Wei You , Bao Li , Li Jiang , Yongfang Li , Chunru Wang
Advanced Energy Materials, Volume 8, Issue 30, October 25, 2018.
17 Sep 00:51

Sequentially Fluorinated PTAA Polymers for Enhancing VOC of High‐Performance Perovskite Solar Cells

by Youngwoong Kim , Eui Hyuk Jung , Geunjin Kim , Donguk Kim , Bumjoon J. Kim , Jangwon Seo
Advanced Energy Materials, Volume 8, Issue 29, October 15, 2018.
17 Sep 00:50

Low‐Dimensional Perovskites: From Synthesis to Stability in Perovskite Solar Cells

by Abd. Rashid bin Mohd. Yusoff , Mohammad Khaja Nazeeruddin
Advanced Energy Materials, Volume 8, Issue 26, September 14, 2018.
17 Sep 00:50

A Universal Double‐Side Passivation for High Open‐Circuit Voltage in Perovskite Solar Cells: Role of Carbonyl Groups in Poly(methyl methacrylate)

by Jun Peng , Jafar I. Khan , Wenzhu Liu , Esma Ugur , The Duong , Yiliang Wu , Heping Shen , Kai Wang , Hoang Dang , Erkan Aydin , Xinbo Yang , Yimao Wan , Klaus J. Weber , Kylie R. Catchpole , Frédéric Laquai , Stefaan De Wolf , Thomas P. White
Advanced Energy Materials, Volume 8, Issue 30, October 25, 2018.
17 Sep 00:49

A Novel Strategy for Scalable High‐Efficiency Planar Perovskite Solar Cells with New Precursors and Cation Displacement Approach

by Fengzhu Li , Yu Zhang , Ke‐Jian Jiang , Chaoshen Zhang , Jin‐Hua Huang , Huijia Wang , Haochen Fan , Pengcheng Wang , Yongjie Chen , Wenchao Zhao , Xiangjun Li , Lian‐Ming Yang , YanLin Song , Yongfang Li
Advanced Materials A Novel Strategy for Scalable High‐Efficiency Planar Perovskite Solar Cells with New Precursors and Cation Displacement Approach

A pseudo‐3D CH3CH2CH2NH3PbI3 perovskite film is deposited by a scalable dip‐coating technique with high surface coverage, and then conversed to a high‐quality 3D CH3NH3PbI3 perovskite film via an organic‐cation displacement approach. With the MAPbI3 film as the light absorber, planar perovskite solar cells are fabricated, affording stabilized power conversion efficiencies of 19.27% and 15.68% for 0.09 and 5.02 cm2 devices, respectively.


Abstract

Methylammonium iodide (MAI) and lead iodide (PbI2) have been extensively employed as precursors for solution‐processed MAPbI3 perovskite solar cells (PSCs). However, the MAPbI3 perovskite films directly deposited from the precursor solutions, usually suffer from poor surface coverage due to uncontrolled nucleation and crystal growth of the perovskite during the film formation, resulting in low photovoltaic conversion efficiency and poor reproducibility. Herein, propylammonium iodide and PbI2 are employed as precursors for solution deposition of propylammonium lead iodide (PAPbI3) perovskite film. It is found that the precursors have good film formability, enabling the deposition of a large‐area and homogeneous PAPbI3 perovskite film by a scalable dip‐coating technique. The dip‐coated PAPbI3 film is then subjected to an organic‐cation displacement reaction, resulting in MAPbI3 film with high surface coverage and crystallinity. With the MAPbI3 film as the light absorber, planar PSCs are fabricated, and stabilized power conversion efficiencies of 19.27% and 15.68% can be achieved for the devices with active areas of 0.09 and 5.02 cm2, respectively. The technology reported here provides a robust and efficient approach to fabricate large‐area and high‐efficiency perovskite cells for practical application.

15 Sep 12:43

Electrode Design to Overcome Substrate Transparency Limitations for Highly Efficient 1 cm2 Mesoscopic Perovskite Solar Cells

Publication date: 19 December 2018

Source: Joule, Volume 2, Issue 12

Author(s): Meng Zhang, Benjamin Wilkinson, Yuanxun Liao, Jianghui Zheng, Cho Fai Jonathan Lau, Jincheol Kim, Jueming Bing, Martin A. Green, Shujuan Huang, Anita Wing-Yi Ho-Baillie

Context & Scale

Mesoscopic cell structure and fluorine-doped tin oxide (FTO) glass have been the architect and substrate of choice, respectively, for state-of-the-art perovskite solar cells (PSCs). Although ITO is optical superior to FTO, the high-temperature annealing required for the fabrication of TiO2 layers causes conductivity loss in the ITO. Herein, we introduce a new electrode design for large-area perovskite (>1 cm2) on high-transparency, low-conductivity ITO substrate compatible with high-temperature processing of mesoscopic structure. We demonstrate cells with improved photocurrent without sacrificing fill factor, outperforming cells on FTO substrates. By further optimizing device geometry and ITO thickness guided by simulation, a certified 19.6% efficiency is achieved on ITO-based mesoscopic PSCs. This work overcomes the limitations of substrate choice for mesoscopic PSCs, benefitting the development of high-efficiency, large-area PSCs.

Summary

Fluorine-doped tin oxide glass substrate is typically used for state-of-the-art perovskite solar cells (PSCs). However, indium-doped tin oxide (ITO) is better due to higher transparency for a given conductivity, although it has lower tolerance to high-temperature processes required for the compact and mesoporous TiO2 layers. Here we overcome this challenge by developing and utilizing a new electrode design. We successfully demonstrate high-efficiency mesoscopic PSCs on annealed ITO substrates showing improved photocurrent without sacrificing fill factor. After further optimizations of cell geometry and substrate conductivity guided by simulation, a certified 19.63% efficiency is achieved on 1 cm2 for ITO-based mesoscopic PSC, which is the highest among PSCs prepared by gas quenching. This work is useful for providing design principles and methods for optimizing cell geometry, metal electrode design, and substrate conductivity requirements for large-area PSCs.

Graphical Abstract

Graphical abstract for this article

14 Sep 02:12

Temperature Difference Triggering Controlled Growth of All‐Inorganic Perovskite Nanowire Arrays in Air

by Yaguang Wang , Muhammad Yasar , Ziyi Luo , Shasha Zhou , Yiwei Yu , Huiqiao Li , Rui Yang , Xiaoxia Wang , Anlian Pan , Lin Gan , Tianyou Zhai
Small, Volume 14, Issue 41, October 11, 2018.
14 Sep 02:11

Efficient Optimization of the Performance of Mn2+‐Doped Kesterite Solar Cell: Machine Learning Aided Synthesis of High Efficient Cu2(Mn,Zn)Sn(S,Se)4 Solar Cells

by Xiuling Li , Zhufeng Hou , Shoushuai Gao , Yu Zeng , Jianping Ao , Zhiqiang Zhou , Bo Da , Wei Liu , Yun Sun , Yi Zhang
Solar RRL Efficient Optimization of the Performance of Mn2+‐Doped Kesterite Solar Cell: Machine Learning Aided Synthesis of High Efficient Cu2(Mn,Zn)Sn(S,Se)4 Solar Cells

Machine learning determines the optimal doping content of Mn2+ in CZTSSe films effectively and rapidly for the best solar cell efficiency. A CM0.05Z0.95TSSe solar cell with an efficiency of 8.93% is achieved in the experiment. The doped Mn2+ decreases the CuZn defect and boosts the improvement of CZTSSe solar cells.


Isoelectronic cation substitution is a potential method to decrease the density of Cu‐Zn anti‐site defects in CZTSSe, thus improving the V OC and performance of CZTSSe solar cells. The proper doping concentration is determined traditionally by the trial and error approach, costing much time, and materials. How to shorten the time to find the proper doping concentration is a big challenge for the development of solar cells. Here, by utilizing the machine learning model, the authors carry out an adaptive design for predicting the optimal doping ratio of Mn2+ ions in CZTSSe solar cells for improved solar cell efficiency. With the help of machine learning prediction, the authors rapidly and efficiently find the optimal doping ratio of Mn2+ in CZTSSe solar cells to be 0.05, achieving a highest solar cell efficiency of 8.9% in experiment. Further experimental characterizations of Mn‐doped CZTSSe show that the defect in CZTSSe after Mn doping is changed from an anti‐site CuZn defect to V Cu defect. Our findings suggest that machine learning is a very powerful and efficient approach to aid the development of solar cell materials for its application in the photovoltaic field.

14 Sep 02:11

Use of two structurally similar small molecular acceptors enabling ternary organic solar cells with high efficiencies and fill factors

Energy Environ. Sci., 2018, 11,3275-3282
DOI: 10.1039/C8EE01700J, Paper
Tao Liu, Zhenghui Luo, Qunping Fan, Guangye Zhang, Lin Zhang, Wei Gao, Xia Guo, Wei Ma, Maojie Zhang, Chuluo Yang, Yongfang Li, He Yan
Ternary OSCs fabricated with two acceptors with similar absorption spectra achieved the best PCE of 14.13% with an impressive FF of 78.2%.
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14 Sep 02:11

Using a facile processing method to facilitate charge extraction for polymer solar cells

J. Mater. Chem. C, 2018, 6,11045-11051
DOI: 10.1039/C8TC03944E, Paper
Chunyu Liu, Dezhong Zhang, Mingrui Tan, Xinyuan Zhang, Zhiqi Li, Yue Zhou, Liang Shen, Shengping Ruan, Wenbin Guo
Improved performance of polymer solar cells is achieved by post-annealing the completed device and reducing the necessary thickness of the WO3 layer.
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14 Sep 02:10

Spiro-linked organic small molecules as hole-transport materials for perovskite solar cells

J. Mater. Chem. A, 2018, 6,18750-18765
DOI: 10.1039/C8TA08503J, Review Article
Sivakumar Gangala, Rajneesh Misra
Organic–inorganic halide perovskite solar cells (PSCs) have attracted great attention as an alternative renewable photovoltaic technology with a power conversion efficiency (PCE) > 22%, which is on par with established technologies.
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14 Sep 02:10

Triple cation additive NH3+C2H4NH2+C2H4NH3+-induced phase-stable inorganic α-CsPbI3 perovskite films for use in solar cells

J. Mater. Chem. A, 2018, 6,18258-18266
DOI: 10.1039/C8TA04590A, Paper
Xihong Ding, Haibin Chen, Yahan Wu, Shuang Ma, Songyuan Dai, Shangfeng Yang, Jun Zhu
We demonstrate that employing a small quantity of triple cation NH3+C2H4NH2+C2H4NH3+ (denoted as DETA3+) could effectively stabilize mutable α-CsPbI3 for 60 d via a facile one-step deposition method without any encapsulation.
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14 Sep 02:09

Screen printed carbon CsPbBr3 solar cells with high open-circuit photovoltage

J. Mater. Chem. A, 2018, 6,18677-18686
DOI: 10.1039/C8TA07694D, Paper
Open Access Open Access
Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Isabella Poli, Jenny Baker, James McGettrick, Francesca De Rossi, Salvador Eslava, Trystan Watson, Petra J. Cameron
Mesoporous carbon solar cells were prepared by infiltrating the porous substrate with inorganic CsPbBr3 solution. The films were post-annealed at different temperatures; post-annealing at 400 °C strongly enhances the open circuit voltage (1.44 V) and cell efficiency (8.2%).
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14 Sep 02:08

Multifunctional RbCl dopants for efficient inverted planar perovskite solar cell with ultra-high fill factor, negligible hysteresis and improved stability

Publication date: November 2018

Source: Nano Energy, Volume 53

Author(s): Xixia Liu, Bichen Li, Nengduo Zhang, Zhimeng Yu, Kuan Sun, Baoshan Tang, Diwen Shi, Hongyan Yao, Jianyong Ouyang, Hao Gong

Abstract

Interfacial engineering, especially for the hole transport layer (HTL) design, is a significant approach to improve photovoltaic performance of inverted planar perovskite solar cells (PSCs). Herein, we decorated the widely used HTL materials of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) through dispersing rubidium chloride (RbCl) in the aqueous solution. Based on systematic characterizations, we find that the RbCl dopant plays multiple roles in both the PEDOT:PSS-RbCl composite film and the interface between perovskite and HTL. RbCl could induce phase segregation of PEDOT:PSS and enlarge its nanocrystal size, which in turn to simultaneously enhance electrical conductivity, hole transport capability and work function without sacrificing optical transmittance of the HTL. In addition, RbCl crystallite possesses similar polyhedral structure and lattice parameters as the perovskite, which is beneficial for the seed-mediated growth of perovskite. The seed-mediated perovskite formation leads to a dense and uniform active layer with superior crystallinity and less trap density. Consequently, the PSCs with the doped HTL show remarkably enhanced performance for both the pure perovskite MAPbI3 (from 13.24% to 16.63%) and mixed perovskite MA0.7FA0.3Pb(I0.9Br0.1)3 (from 16.13% to 18.30%). Impressively, negligible hysteresis, high fill factor (FF, over 80%) and improved moisture stability are observed for both perovskites using the doped HTL.

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14 Sep 02:07

[ASAP] High-Efficiency Light-Emitting Diodes Based on Formamidinium Lead Bromide Nanocrystals and Solution Processed Transport Layers

by Francesco Di Stasio, Iñigo Ramiro, Yu Bi, Sotirios Christodoulou, Alexandros Stavrinadis, Gerasimos Konstantatos

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.8b03079
13 Sep 00:48

[ASAP] Tailorable Au Nanoparticles Embedded in Epitaxial TiO2 Thin Films for Tunable Optical Properties

by Shikhar Misra, Leigang Li, Jie Jian, Jijie Huang, Xuejing Wang, Dmitry Zemlyanov, Ji-Wook Jang, Fabio H. Ribeiro, Haiyan Wang

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ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.8b12210
13 Sep 00:46

A full overview of international standards assessing the long-term stability of perovskite solar cells

J. Mater. Chem. A, 2018, 6,21794-21808
DOI: 10.1039/C8TA06950F, Review Article
Philippe Holzhey, Michael Saliba
Perovskite solar cells have emerged as promising candidates for photovoltaics. Passing existing standards is a necessary minimum requirement for a possible commercialisation. Here, we analyse the most current international stability standards and to which degree perovskites have passed them. We then elaborate on the most pertinent challenges for the long-term stability of perovskites in the coming years.
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13 Sep 00:44

A Cryogenic Process for Antisolvent‐Free High‐Performance Perovskite Solar Cells

by Annie Ng , Zhiwei Ren , Hanlin Hu , Patrick W. K. Fong , Qian Shen , Sin Hang Cheung , Pingli Qin , Jin‐Wook Lee , Aleksandra B. Djurišić , Shu Kong So , Gang Li , Yang Yang , Charles Surya
Advanced Materials A Cryogenic Process for Antisolvent‐Free High‐Performance Perovskite Solar Cells

A novel cryogenic process has universal applicability to prepare mixed perovskite films. Excellent film quality and consequently promising device performance result from decoupling of nucleation and crystallization phases during the formation of perovskites. The cryogenic temperature suppresses premature reactions of the precursors and prevents premature coalescence of nuclei into large crystallites, enabling uniform film formation following the blow‐drying and annealing processes.


Abstract

A cryogenic process is introduced to control the crystallization of perovskite layers, eliminating the need for the use of environmentally harmful antisolvents. This process enables decoupling of the nucleation and the crystallization phases by inhibiting chemical reactions in as‐cast precursor films rapidly cooled down by immersion in liquid nitrogen. The cooling is followed by blow‐drying with nitrogen gas, which induces uniform precipitation of precursors due to the supersaturation of precursors in the residual solvents at very low temperature, while at the same time enhancing the evaporation of the residual solvents and preventing the ordered precursors/perovskite from redissolving into the residual solvents. Using the proposed techniques, the crystallization process can be initiated after the formation of a uniform precursor seed layer. The process is generally applicable to improve the performance of solar cells using perovskite films with different compositions, as demonstrated on three different types of mixed halide perovskites. A champion power conversion efficiency (PCE) of 21.4% with open‐circuit voltage (V OC) = 1.14 V, short‐circuit current density ( J SC) = 23.5 mA cm−2, and fill factor (FF) = 0.80 is achieved using the proposed cryogenic process.

12 Sep 01:06

[ASAP] Two-Dimensional Ruddlesden–Popper Perovskite with Nanorod-like Morphology for Solar Cells with Efficiency Exceeding 15%

by Hongtao Lai, Bin Kan, Tingting Liu, Nan Zheng, Zengqi Xie, Tong Zhou, Xiangjian Wan, Xiaodan Zhang, Yongsheng Liu, Yongsheng Chen

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Journal of the American Chemical Society
DOI: 10.1021/jacs.8b04604
12 Sep 00:47

[ASAP] Hole Transport in Low-Donor-Content Organic Solar Cells

by Donato Spoltore, Andreas Hofacker, Johannes Benduhn, Sascha Ullbrich, Mathias Nyman, Olaf Zeika, Sebastian Schellhammer, Yeli Fan, Ivan Ramirez, Stephen Barlow, Moritz Riede, Seth R. Marder, Frank Ortmann, Koen Vandewal

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The Journal of Physical Chemistry Letters
DOI: 10.1021/acs.jpclett.8b02177