How the strain effects decreases the band gap energy in the CsPbX3 perovskite compounds?

被引:52
作者
Zitouni, H. [1 ]
Tahiri, N. [1 ]
El Bounagui, O. [2 ]
Ez-Zahraouy, H. [1 ]
机构
[1] Mohammed V Univ Rabat, Lab Condensed Matter & Interdisciplinary Sci, Fac Sci, Rabat, Morocco
[2] Mohammed V Univ Rabat, Fac Sci, LPHE MS, Rabat, Morocco
关键词
Perovskite CsPbX3; strain effect; optical properties; GGA approximation; gap energy; LEAD HALIDE; SOLAR-CELLS; PHASE-TRANSITIONS; CESIUM; EVOLUTION; SYSTEMS;
D O I
10.1080/01411594.2020.1746964
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The perovskite cesium lead halides have been proposed as promising materials for photovoltaic devices because of their visible light absorption and direct band gap semiconductors. The structural, electronic and optical properties of the bulk CsPbX3 (X = Br, Cl and I) are studied, using density functional theory. In order to use these compounds in photovoltaic applications, the only inconvenient of these materials is that they have a slightly high gap energy value such as: 2.57, 2.16 and 1.88 eV for CsPbCl3, CsPbBr3 and CsPbI3 compounds, respectively. It is known that the efficiency of the solar cells varied with the band gap of the materials used. Moreover, by applying 3% of strain on the perovskite CsPbX3, we have reducing the gap energy value of these materials. The present compounds are one of the promising candidates for photovoltaic applications.
引用
收藏
页码:455 / 469
页数:15
相关论文
共 37 条
[1]   PEROVSKITE-TYPE OXIDES - THE NEW APPROACH TO HIGH-TC SUPERCONDUCTIVITY [J].
BEDNORZ, JG ;
MULLER, KA .
REVIEWS OF MODERN PHYSICS, 1988, 60 (03) :585-600
[2]  
Blaha P., 2001, WIEN 2K AUGMENTED PL
[3]   Sequential deposition as a route to high-performance perovskite-sensitized solar cells [J].
Burschka, Julian ;
Pellet, Norman ;
Moon, Soo-Jin ;
Humphry-Baker, Robin ;
Gao, Peng ;
Nazeeruddin, Mohammad K. ;
Graetzel, Michael .
NATURE, 2013, 499 (7458) :316-+
[4]  
Carrero S.G., 2016, OPT EXPRESS, V24, P285
[5]   BINARY SYSTEMS FORMED BY LEAD BROMIDE WITH (LI8 NA8 K8 RB8 CS AND T1)BR - DTA AND DIFFRACTOMETRIC STUDY [J].
COLA, M ;
MASSAROT.V ;
RICCARDI, R ;
SINISTRI, C .
ZEITSCHRIFT FUR NATURFORSCHUNG PART A-ASTROPHYSIK PHYSIK UND PHYSIKALISCHE CHEMIE, 1971, A 26 (08) :1328-&
[6]   Solar Energy Supply and Storage for the Legacy and Non legacy Worlds [J].
Cook, Timothy R. ;
Dogutan, Dilek K. ;
Reece, Steven Y. ;
Surendranath, Yogesh ;
Teets, Thomas S. ;
Nocera, Daniel G. .
CHEMICAL REVIEWS, 2010, 110 (11) :6474-6502
[7]   The rapid evolution of highly efficient perovskite solar cells [J].
Correa-Baena, Juan-Pablo ;
Abate, Antonio ;
Saliba, Michael ;
Tress, Wolfgang ;
Jacobsson, T. Jesper ;
Gratzel, Michael ;
Hagfeldt, Anders .
ENERGY & ENVIRONMENTAL SCIENCE, 2017, 10 (03) :710-727
[8]   Inorganic caesium lead iodide perovskite solar cells [J].
Eperon, Giles E. ;
Paterno, Giuseppe M. ;
Sutton, Rebecca J. ;
Zampetti, Andrea ;
Haghighirad, Amir Abbas ;
Cacialli, Franco ;
Snaith, Henry J. .
JOURNAL OF MATERIALS CHEMISTRY A, 2015, 3 (39) :19688-19695
[9]   Morphological Control for High Performance, Solution-Processed Planar Heterojunction Perovskite Solar Cells [J].
Eperon, Giles E. ;
Burlakov, Victor M. ;
Docampo, Pablo ;
Goriely, Alain ;
Snaith, Henry J. .
ADVANCED FUNCTIONAL MATERIALS, 2014, 24 (01) :151-157
[10]   Room-temperature ferroelectricity in strained SrTiO3 [J].
Haeni, JH ;
Irvin, P ;
Chang, W ;
Uecker, R ;
Reiche, P ;
Li, YL ;
Choudhury, S ;
Tian, W ;
Hawley, ME ;
Craigo, B ;
Tagantsev, AK ;
Pan, XQ ;
Streiffer, SK ;
Chen, LQ ;
Kirchoefer, SW ;
Levy, J ;
Schlom, DG .
NATURE, 2004, 430 (7001) :758-761