TY  -  
T1  - Calculations of the light absorption spectra of porphyrinoid chromophores for dye-sensitized solar cells 
SN  -  /  
UR  - http://hdl.handle.net/10138/224363 
T3  -  
A1  - Mera-Adasme, Raul; Xu, Wen-hua; Sundholm, Dage; Mendizabal, Fernando 
A2  -  
PB  -  
Y1  - 2016 
LA  - eng 
AB  - Solar power is a strong alternative to the currently used fossil fuels in order to satisfy the world's energy needs. Among them, dye-sensitized solar cells (DSSC) represent a low-cost option. Efficient and cheap dyes are currently needed to make DSSCs competitive. Computational chemistry can be used to guide the design of new light-absorbing chromophores. Here, we have computationally studied the lowest excited states of ZnPBAT, which is a recently synthesized porphyrinoid chromophore with high ... 
VO  -  
IS  -  
SP  -  
OP  -  
KW  - ELECTRONIC-STRUCTURE CALCULATIONS; BASIS-SETS; CORRELATION-ENERGY; SCREENING MODEL; ORGANIC-DYES; HARTREE-FOCK; DENSITY; TIO2; ADSORPTION; EXCHANGE; 116 Chemical sciences; 114 Physical sciences 
N1  -   
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ER  -