Identifying Crystal Structure of Halides of Strontium and Barium Perovskite Compounds with EXPO2014 Software

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Yayımlandı:Materials vol. 18, no. 1 (2025), p. 58
Yazar: Perez Franco, Jorge A
Diğer Yazarlar: Antonieta García Murillo, Felipe de J Carrillo Romo, Romero Ibarra, Issis C, Arturo Cervantes Tobón
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MDPI AG
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024 7 |a 10.3390/ma18010058  |2 doi 
035 |a 3153750096 
045 2 |b d20250101  |b d20251231 
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100 1 |a Perez Franco, Jorge A  |u Instituto Politécnico Nacional CIITEC, Azcapotzalco, Mexico City 02250, Mexico<email>fcarrillo@ipn.mx</email> (F.d.J.C.R.) 
245 1 |a Identifying Crystal Structure of Halides of Strontium and Barium Perovskite Compounds with EXPO2014 Software 
260 |b MDPI AG  |c 2025 
513 |a Journal Article 
520 3 |a The synthesis of ethylamine-based perovskites has emerged to attempt to replace the lead in lead-based perovskites for the alkaline earth elements barium and strontium, introducing chloride halide to prepare the perovskites in solar cell technology. X-ray diffraction studies were conducted, and EXPO2014 software was utilized to resolve the structure. Chemical characterization was performed using Fourier transform infrared spectroscopy, photophysical properties were analyzed through ultraviolet–visible spectroscopy, and photoluminescence properties were determined to confirm the perovskite characteristics. The software employed can determine new crystal structures, as follows: orthorhombic for barium perovskite CH3CH2NH3BaCl3 and tetragonal for strontium perovskite CH3CH2NH3SrCl3. The ultraviolet–visible spectroscopy data demonstrated that a temperature increase (90–110 °C) contributed to reducing the band gap from 3.93 eV to 3.67 eV for barium perovskite and from 4.05 eV to 3.84 eV for strontium perovskite. The results exhibited that new materials can be obtained through gentle chemistry and specialized software like EXPO2014, both of which are capable of conducting reciprocal and direct space analyses for identifying crystal structures using powder X-ray diffraction. 
653 |a Crystal structure 
653 |a Barium 
653 |a X ray powder diffraction 
653 |a Software 
653 |a Chloride 
653 |a Halides 
653 |a Ultraviolet spectroscopy 
653 |a X-ray diffraction 
653 |a Solar cells 
653 |a Infrared analysis 
653 |a Energy 
653 |a Lead 
653 |a Structural analysis 
653 |a Fourier transforms 
653 |a Strontium compounds 
653 |a Photovoltaic cells 
653 |a Infrared spectroscopy 
653 |a Efficiency 
653 |a Perovskites 
653 |a Photoluminescence 
700 1 |a Antonieta García Murillo  |u Instituto Politécnico Nacional CIITEC, Azcapotzalco, Mexico City 02250, Mexico<email>fcarrillo@ipn.mx</email> (F.d.J.C.R.) 
700 1 |a Felipe de J Carrillo Romo  |u Instituto Politécnico Nacional CIITEC, Azcapotzalco, Mexico City 02250, Mexico<email>fcarrillo@ipn.mx</email> (F.d.J.C.R.) 
700 1 |a Romero Ibarra, Issis C  |u Instituto Politécnico Nacional-UPIITA, Mexico City 02580, Mexico 
700 1 |a Arturo Cervantes Tobón  |u Instituto Politécnico Nacional ESIQIE, Mexico City 07700, Mexico 
773 0 |t Materials  |g vol. 18, no. 1 (2025), p. 58 
786 0 |d ProQuest  |t Materials Science Database 
856 4 1 |3 Citation/Abstract  |u https://www.proquest.com/docview/3153750096/abstract/embedded/7BTGNMKEMPT1V9Z2?source=fedsrch 
856 4 0 |3 Full Text + Graphics  |u https://www.proquest.com/docview/3153750096/fulltextwithgraphics/embedded/7BTGNMKEMPT1V9Z2?source=fedsrch 
856 4 0 |3 Full Text - PDF  |u https://www.proquest.com/docview/3153750096/fulltextPDF/embedded/7BTGNMKEMPT1V9Z2?source=fedsrch