2018
DOI: 10.1016/j.matlet.2018.03.153
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First-principle survey of structural, electronic, and optical properties of zinc-blendeBxAlyGa1

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Cited by 4 publications
(4 citation statements)
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“…The high theoretical oscillator strength ( f =0.32) obtained for PANP was corroborated by a significantly high fluorescence radiative factor ( R fl =5.6×10 8 ) and quantum yield ( φ fl =0.34). Whereas, a non‐radiative PANA displayed negligible zero R fl and quantum yield ( φ fl =0.026) in DCM . After nucleophilic substitution of Br by piperazine a radiative transition S 0 →S 1 , identified as the HOMO→LOMO was allowed as a result of electron jump within the architectural model.…”
Section: Methodsmentioning
confidence: 99%
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“…The high theoretical oscillator strength ( f =0.32) obtained for PANP was corroborated by a significantly high fluorescence radiative factor ( R fl =5.6×10 8 ) and quantum yield ( φ fl =0.34). Whereas, a non‐radiative PANA displayed negligible zero R fl and quantum yield ( φ fl =0.026) in DCM . After nucleophilic substitution of Br by piperazine a radiative transition S 0 →S 1 , identified as the HOMO→LOMO was allowed as a result of electron jump within the architectural model.…”
Section: Methodsmentioning
confidence: 99%
“…Whereas, a non-radiative PANA displayed negligible zero R fl and quantum yield (f fl = 0.026)i nD CM. [43] After nucleophilic substitution of Br by piperazine ar adiativet ransition S 0 !S 1 ,i dentified as the HOMO!LOMO was allowed as ar esult of electron jump within the architectural model.T herefore, the presence of emissive S1 which depends on solvents dielectric underpins the strong fluorescence of PANP,w hich is classified as polar in its excited state. Thus, the theoretical indication furthers upports PET mechanism.…”
mentioning
confidence: 99%
“…As microelectronic devices continue to advance in terms of miniaturization, speed, and capability, effective thermal management emerges as a formidable challenge, particularly in domains such as microprocessors, LEDs, and high-power devices [1][2][3]. The search and study of materials with high thermal conductivity (K) are becoming increasingly important.…”
Section: Introductionmentioning
confidence: 99%
“…They are alloys of interest to theorists and experimentalists because of their vast applications in industries. Group III-V semiconductor alloys are used in modern electronics and optoelectronics industries [1,2,3,4] Group III-Nitrides are the most studied in this group, because of their very interesting properties such as large bulk modulus, high thermal conductivity, high melting point [5]- [7], wideband gaps [8]- [10]. These wide band gaps can be altered by alloying to desirable values [11] over the electromagnetic spectrum from the infrared region to deep ultraviolet region [12]- [13].…”
Section: Introductionmentioning
confidence: 99%