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- W3161539653 abstract "Abstract Both theoretical and experimental studies are briefly discussed to shed lights on crystal shape, FT-IR, electronic, and non-linear Opto-response (NLO) characteristics of ethyl4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (MTTHPC). Theoretical FT_IR results are in a proper concord with recorded measurements. MTTHPC has TDM (4.78 Debye) and a doublet spins that splits original FMOs into (alpha(uparrow , 2.44text{e}text{V})) and (beta)(↓,1.28eV) offsets, respectively. MTTHPC is a potential competitor for finest perovskite solar cells (MAPbI 3 /Au-nanospheres) that possess a band offset ((3.1eV)) with conversion-efficiency 24.84%. MTTHPC may be the next chapter for unique avalanche photodetectors (APD). MTTHPC 1st order hyperpolarizability is (14.15* {10}^{-30 }esu), surpass reference urea ((approx 40{beta }_{urea},) ({beta }_{urea}= 0.3728* {10}^{-30} esu)). Briefly, MTTHPC may be admitted as the next stage in forthcoming NLO technology." @default.
- W3161539653 created "2021-05-24" @default.
- W3161539653 creator A5037861503 @default.
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- W3161539653 date "2021-04-26" @default.
- W3161539653 modified "2023-09-26" @default.
- W3161539653 title "Exploring crystal, electronic, optical, and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTPC)" @default.
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- W3161539653 doi "https://doi.org/10.21203/rs.3.rs-324400/v1" @default.
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