Journal ArticleDOI
Strain engineering and epitaxial stabilization of halide perovskites.
Yimu Chen,Yusheng Lei,Yuheng Li,Yugang Yu,Jinze Cai,Ming-Hui Chiu,Rahul Rao,Yue Gu,Chunfeng Wang,Woojin Choi,Hongjie Hu,Chonghe Wang,Yang Li,Jiawei Song,Jingxin Zhang,Baiyan Qi,Muyang Lin,Zhuorui Zhang,Ahmad E. Islam,Benji Maruyama,Shadi A. Dayeh,Lain-Jong Li,Lain-Jong Li,Kesong Yang,Yu-Hwa Lo,Sheng Xu +25 more
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TLDR
Strain engineering of α-formamidinium lead iodide (α-FAPbI 3) is investigated using both experimental techniques and theoretical calculations, and it is demonstrated that a compressive strain effectively changes the crystal structure, reduces the bandgap and increases the hole mobility of α -FAPBI 3.Abstract:
Strain engineering is a powerful tool with which to enhance semiconductor device performance1,2. Halide perovskites have shown great promise in device applications owing to their remarkable electronic and optoelectronic properties3–5. Although applying strain to halide perovskites has been frequently attempted, including using hydrostatic pressurization6–8, electrostriction9, annealing10–12, van der Waals force13, thermal expansion mismatch14, and heat-induced substrate phase transition15, the controllable and device-compatible strain engineering of halide perovskites by chemical epitaxy remains a challenge, owing to the absence of suitable lattice-mismatched epitaxial substrates. Here we report the strained epitaxial growth of halide perovskite single-crystal thin films on lattice-mismatched halide perovskite substrates. We investigated strain engineering of α-formamidinium lead iodide (α-FAPbI3) using both experimental techniques and theoretical calculations. By tailoring the substrate composition—and therefore its lattice parameter—a compressive strain as high as 2.4 per cent is applied to the epitaxial α-FAPbI3 thin film. We demonstrate that this strain effectively changes the crystal structure, reduces the bandgap and increases the hole mobility of α-FAPbI3. Strained epitaxy is also shown to have a substantial stabilization effect on the α-FAPbI3 phase owing to the synergistic effects of epitaxial stabilization and strain neutralization. As an example, strain engineering is applied to enhance the performance of an α-FAPbI3-based photodetector. A method of deposition of mixed-cation hybrid perovskite films as lattice-mismatched substrates for an α-FAPbI3 film is described, giving strains of up to 2.4 per cent while also stabilizing the metastable α-FAPbI3 phase for several hundred days.read more
Citations
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Journal ArticleDOI
Impact of strain relaxation on performance of α-formamidinium lead iodide perovskite solar cells
TL;DR: Doping of cesium and methylenediammonium for formamidinium cations decreased lattice strain and increased carrier lifetime and reduced Urbach energy and defect concentration in high-efficiency lead halide perovskite solar cells.
Journal ArticleDOI
Vapor-assisted deposition of highly efficient, stable black-phase FAPbI3 perovskite solar cells.
Haizhou Lu,Yuhang Liu,Paramvir Ahlawat,Aditya Mishra,Wolfgang Tress,Felix Eickemeyer,Yingguo Yang,Fan Fu,Zaiwei Wang,Claudia E. Avalos,Brian Carlsen,Anand Agarwalla,Xin Zhang,Xiaoguo Li,Yiqiang Zhan,Shaik M. Zakeeruddin,Lyndon Emsley,Ursula Rothlisberger,Li-Rong Zheng,Anders Hagfeldt,Michael Grätzel +20 more
TL;DR: A deposition method using methylammonium thiocyanate vapor treatment to convert δ-FAPbI3 to the desired pure α-phase below the thermodynamic phase-transition temperature is shown.
Journal ArticleDOI
A fabrication process for flexible single-crystal perovskite devices
Yusheng Lei,Yimu Chen,Ruiqi Zhang,Yuheng Li,Qizhang Yan,Seunghyun Lee,Yugang Yu,Hsinhan Tsai,Woojin Choi,Kaiping Wang,Yanqi Luo,Yue Gu,Xinran Zheng,Chunfeng Wang,Chonghe Wang,Hongjie Hu,Yang Li,Baiyan Qi,Muyang Lin,Zhuorui Zhang,Shadi A. Dayeh,Matt Pharr,David P. Fenning,Yu-Hwa Lo,Jian Luo,Kesong Yang,Jinkyoung Yoo,Wanyi Nie,Sheng Xu +28 more
TL;DR: A solution-based lithography-assisted epitaxial-growth-and-transfer method is used to fabricate single-crystal hybrid perovskites on any surface, with precise control of the thickness, area and chemical composition gradient.
References
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Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI
Projector augmented-wave method
TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
Journal ArticleDOI
First principles methods using CASTEP
Stewart J. Clark,Matthew D. Segall,Chris J. Pickard,P. J. Hasnip,Matt Probert,Keith Refson,Mike C. Payne +6 more
TL;DR: The CASTEP program as mentioned in this paper is a computer program for first principles electro-Nic structure calculations, and some of its features and capabilities are described and near-future development plans outlined.
Journal ArticleDOI
Iodide management in formamidinium-lead-halide–based perovskite layers for efficient solar cells
Woon Seok Yang,Byung-wook Park,Eui Hyuk Jung,Nam Joong Jeon,Young Chan Kim,Dong Uk Lee,Seong Sik Shin,Jangwon Seo,Eun Kyu Kim,Jun Hong Noh,Sang Il Seok +10 more
TL;DR: The introduction of additional iodide ions into the organic cation solution, which is used to form the perovskite layers through an intramolecular exchanging process, decreases the concentration of deep-level defects, enabling the fabrication of PSCs with a certified power conversion efficiency.