scholarly journals Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3

2014 ◽  
Vol 16 (4) ◽  
pp. 1424-1429 ◽  
Author(s):  
Yun Wang ◽  
Tim Gould ◽  
John F. Dobson ◽  
Haimin Zhang ◽  
Huagui Yang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electronic Properties ◽  
Density Functional ◽  
Theory Analysis ◽  
Functional Theory ◽  
Structural And Electronic Properties ◽  
Orthorhombic Perovskite

scholarly journals Reply to the ‘Comment on “Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3”’ by J. Even et al., Phys. Chem. Chem. Phys., 2014, 10.1039/C3CP55006K

2014 ◽  
Vol 16 (18) ◽  
pp. 8699-8700 ◽  
Author(s):  
Yun Wang ◽  
Huijun Zhao
Keyword(s):  
Density Functional Theory ◽  
Solar Cells ◽  
Electronic Properties ◽  
Density Functional ◽  
Chem Phys ◽  
Theory Analysis ◽  
Functional Theory ◽  
Structural And Electronic Properties ◽  
Orthorhombic Perovskite ◽  
Phys Chem Chem Phys

Perovskite CH3NH3PbI3 materials were theoretically investigated using density functional theory (DFT) since they are an important component in novel perovskite-based solar cells.

scholarly journals Comment on “Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3” by Y. Wang et al., Phys. Chem. Chem. Phys., 2014, 16, 1424–1429

2014 ◽  
Vol 16 (18) ◽  
pp. 8697-8698 ◽  
Author(s):  
J. Even ◽  
L. Pedesseau ◽  
C. Katan
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Orthorhombic Phase ◽  
Chem Phys ◽  
Theory Analysis ◽  
Functional Theory ◽  
Structural And Electronic Properties ◽  
Photovoltaic Applications ◽  
Orthorhombic Perovskite ◽  
Phys Chem Chem Phys

Yun Wang et al. used density functional theory (DFT) to investigate the orthorhombic phase of CH3NH3PbI3, which has recently shown outstanding properties for photovoltaic applications.

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