Matches in SemOpenAlex for { <https://semopenalex.org/work/W3095928521> ?p ?o ?g. }
- W3095928521 endingPage "4944" @default.
- W3095928521 startingPage "4944" @default.
- W3095928521 abstract "The effect of halide composition on the structural, electronic, and optical properties of CsPb(Br1−xClx)3 perovskite was investigated in this study. When the chloride (Cl) content of x was increased, the unit cell volume decreased with a linear function. Theoretical X-ray diffraction analyses showed that the peak (at 2θ = 30.4°) shifts to a larger angle (at 2θ = 31.9°) when the average fraction of the incorporated Cl increased. The energy bandgap (Eg) was observed to increase with the increase in Cl concentration. For x = 0.00, 0.25, 0.33, 0.50, 0.66, 0.75, and 1.00, the Eg values calculated using the Perdew–Burke–Ernzerhof potential were between 1.53 and 1.93 eV, while those calculated using the modified Becke−Johnson generalized gradient approximation (mBJ–GGA) potential were between 2.23 and 2.90 eV. The Eg calculated using the mBJ–GGA method best matched the experimental values reported. The effective masses decreased with a concentration increase of Cl to 0.33 and then increased with a further increase in the concentration of Cl. Calculated photoabsorption coefficients show a blue shift of absorption at higher Cl content. The calculations indicate that CsPb(Br1−xClx)3 perovskite could be used in optical and optoelectronic devices by partly replacing bromide with chloride." @default.
- W3095928521 created "2020-11-09" @default.
- W3095928521 creator A5001275773 @default.
- W3095928521 creator A5035461673 @default.
- W3095928521 creator A5040617157 @default.
- W3095928521 creator A5083600211 @default.
- W3095928521 date "2020-11-03" @default.
- W3095928521 modified "2023-10-01" @default.
- W3095928521 title "Structural, Electronic, and Optical Properties of CsPb(Br1−xClx)3 Perovskite: First-Principles Study with PBE–GGA and mBJ–GGA Methods" @default.
- W3095928521 cites W1499080347 @default.
- W3095928521 cites W1545961964 @default.
- W3095928521 cites W1936604507 @default.
- W3095928521 cites W1946383872 @default.
- W3095928521 cites W1963721320 @default.
- W3095928521 cites W1974126996 @default.
- W3095928521 cites W1979086238 @default.
- W3095928521 cites W1979856498 @default.
- W3095928521 cites W1981368803 @default.
- W3095928521 cites W1982664426 @default.
- W3095928521 cites W1983532085 @default.
- W3095928521 cites W2002484561 @default.
- W3095928521 cites W2011417067 @default.
- W3095928521 cites W2017805851 @default.
- W3095928521 cites W2020147782 @default.
- W3095928521 cites W2028056984 @default.
- W3095928521 cites W2030976617 @default.
- W3095928521 cites W2032956651 @default.
- W3095928521 cites W2047899451 @default.
- W3095928521 cites W2048835561 @default.
- W3095928521 cites W2050721265 @default.
- W3095928521 cites W2051648115 @default.
- W3095928521 cites W2056269736 @default.
- W3095928521 cites W2061469359 @default.
- W3095928521 cites W2062571793 @default.
- W3095928521 cites W2068295395 @default.
- W3095928521 cites W2071056016 @default.
- W3095928521 cites W2085395832 @default.
- W3095928521 cites W2090013577 @default.
- W3095928521 cites W2093007907 @default.
- W3095928521 cites W2141021363 @default.
- W3095928521 cites W2151649783 @default.
- W3095928521 cites W2169328609 @default.
- W3095928521 cites W2183061374 @default.
- W3095928521 cites W2190353957 @default.
- W3095928521 cites W2230728100 @default.
- W3095928521 cites W2234840552 @default.
- W3095928521 cites W2236000642 @default.
- W3095928521 cites W2261386767 @default.
- W3095928521 cites W2269917342 @default.
- W3095928521 cites W2272118683 @default.
- W3095928521 cites W2294354241 @default.
- W3095928521 cites W2317461246 @default.
- W3095928521 cites W2321210844 @default.
- W3095928521 cites W2333110439 @default.
- W3095928521 cites W2333577195 @default.
- W3095928521 cites W2396261957 @default.
- W3095928521 cites W2418376868 @default.
- W3095928521 cites W2472284553 @default.
- W3095928521 cites W2528597143 @default.
- W3095928521 cites W2555264965 @default.
- W3095928521 cites W2562253579 @default.
- W3095928521 cites W2589902773 @default.
- W3095928521 cites W2605574583 @default.
- W3095928521 cites W2605859594 @default.
- W3095928521 cites W2606031023 @default.
- W3095928521 cites W2611247790 @default.
- W3095928521 cites W2622571871 @default.
- W3095928521 cites W2623955189 @default.
- W3095928521 cites W2740824197 @default.
- W3095928521 cites W2744357754 @default.
- W3095928521 cites W2751136467 @default.
- W3095928521 cites W2753318083 @default.
- W3095928521 cites W2754731558 @default.
- W3095928521 cites W2761598093 @default.
- W3095928521 cites W2761636688 @default.
- W3095928521 cites W2772503575 @default.
- W3095928521 cites W2786560818 @default.
- W3095928521 cites W2787834992 @default.
- W3095928521 cites W2791036742 @default.
- W3095928521 cites W2793998846 @default.
- W3095928521 cites W2798148694 @default.
- W3095928521 cites W2801088746 @default.
- W3095928521 cites W2801445193 @default.
- W3095928521 cites W2804768650 @default.
- W3095928521 cites W2805108317 @default.
- W3095928521 cites W2807663533 @default.
- W3095928521 cites W2809524788 @default.
- W3095928521 cites W2852164233 @default.
- W3095928521 cites W2884201468 @default.
- W3095928521 cites W2886990121 @default.
- W3095928521 cites W2888917149 @default.
- W3095928521 cites W2889236023 @default.
- W3095928521 cites W2892228252 @default.
- W3095928521 cites W2894583517 @default.
- W3095928521 cites W2895126220 @default.
- W3095928521 cites W2900632286 @default.
- W3095928521 cites W2904437781 @default.
- W3095928521 cites W2911682656 @default.