scholarly journals From Isolated Porphyrin Ligands to Periodic Al-PMOF: A Comparative Study of the Optical Properties Using DFT/TDDFT

2020 ◽  
Vol 124 (39) ◽  
pp. 21751-21760
Author(s):  
Andres Ortega-Guerrero ◽  
Maria Fumanal ◽  
Gloria Capano ◽  
Berend Smit
2000 ◽  
Vol 10 (7) ◽  
pp. 1581-1584 ◽  
Author(s):  
Bo Zhao ◽  
Changyun Chen ◽  
Zhihua Zhou ◽  
Yang Cao ◽  
Ming Li

2007 ◽  
Vol 126 (2) ◽  
pp. 827-832 ◽  
Author(s):  
Nianfang Ma ◽  
Ying Yu ◽  
Zhengguang Sun ◽  
Shiqiang Huang

2017 ◽  
Vol 417 ◽  
pp. 2-15 ◽  
Author(s):  
Jan Winter ◽  
Stephan Rapp ◽  
Michael Schmidt ◽  
Heinz P. Huber

2019 ◽  
Vol 43 (24) ◽  
pp. 9453-9457 ◽  
Author(s):  
Diwen Liu ◽  
Huijuan Jing ◽  
Rongjian Sa ◽  
Kechen Wu

To reduce the toxicity of Pb in perovskite solar cells, the structural stabilities, and electronic and optical properties of the mixed perovskites MAPb0.75B0.25I3(B = Mg, Ca, Sr, and Ba) were predicted using density functional theory.


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