X-ray crystallographic diffraction study by whole powder pattern fitting (WPPF) method: Refinement of crystalline nanostructure polymorphs TiO2
High crystalline preferred oriented low strain anatase utilizing a novel and unique approach employing the powder X-ray diffraction (XRD) technique is the prime focus of the investigation. This process effectively enhanced controlled crystalline phase growth with 86.70 % anatase and 13.30 % rutile c...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-01-01
|
| Series: | South African Journal of Chemical Engineering |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1026918524001252 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832595374254063616 |
|---|---|
| author | Md. Ashraful Alam Shanawaz Ahmed Raton Kumar Bishwas Sabrina Mostofa Shirin Akter Jahan |
| author_facet | Md. Ashraful Alam Shanawaz Ahmed Raton Kumar Bishwas Sabrina Mostofa Shirin Akter Jahan |
| author_sort | Md. Ashraful Alam |
| collection | DOAJ |
| description | High crystalline preferred oriented low strain anatase utilizing a novel and unique approach employing the powder X-ray diffraction (XRD) technique is the prime focus of the investigation. This process effectively enhanced controlled crystalline phase growth with 86.70 % anatase and 13.30 % rutile confirmed through Rietveld refinement in the WPPF method. The prominent crystalline phase providing insights into lattice parameters a = b = 3.7882 Å, c = 9.5143 Å, α=β=γ= 90.0° where lattice strain 0.280 %, lattice volume 136.533 Å3, specific surface area 84.69 m2/g, dislocation density 2.94 × 10–3 nm−2, morphology index 0.722, preference growth -0.087 and packing efficiency 70.13 %. The most intense diffraction was attributed to the (101) plane at 2θ= 25.288° The average crystallite size through various models was 18.45 nm (Scherrer equation), 34.08 nm (Williamson-Hall plot), 22.12 nm (Monshi-Scherrer model), 18.49 nm (Sahadat-Scherrer model), 22.44 nm (Size-strain plot model) and 17.87 nm (Halder-Wagner model) confirming the formation of nano-sized anatase phase of titanium dioxide nanoparticles. The standard powder nanocrystals exhibit a crystallinity of 67.87 %, underscoring the efficacy of the highly oriented anatase with desirable structural and diffraction properties. `This reduction in crystal structure defects and strain, alongside a smaller lattice volume improved stability and high crystalline anatase predominant (101) was observed at low temperatures. |
| format | Article |
| id | doaj-art-0da3f2ae8fcb4a89a5f2443b0ba3378a |
| institution | Kabale University |
| issn | 1026-9185 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | South African Journal of Chemical Engineering |
| spelling | doaj-art-0da3f2ae8fcb4a89a5f2443b0ba3378a2025-01-19T06:24:15ZengElsevierSouth African Journal of Chemical Engineering1026-91852025-01-01516877X-ray crystallographic diffraction study by whole powder pattern fitting (WPPF) method: Refinement of crystalline nanostructure polymorphs TiO2Md. Ashraful Alam0Shanawaz Ahmed1Raton Kumar Bishwas2Sabrina Mostofa3Shirin Akter Jahan4Institute of Glass and Ceramic Research and Testing (IGCRT), Bangladesh Councill of Scientific and Industrial Research (BCSIR), Dhaka 1205, Bangladesh; Department of Applied Chemistry and Chemical Engineering, Islamic University, Kushtia 7003, BangladeshDepartment of Applied Chemistry and Chemical Engineering, Islamic University, Kushtia 7003, BangladeshInstitute of Glass and Ceramic Research and Testing (IGCRT), Bangladesh Councill of Scientific and Industrial Research (BCSIR), Dhaka 1205, BangladeshInstitute of Glass and Ceramic Research and Testing (IGCRT), Bangladesh Councill of Scientific and Industrial Research (BCSIR), Dhaka 1205, BangladeshInstitute of Glass and Ceramic Research and Testing (IGCRT), Bangladesh Councill of Scientific and Industrial Research (BCSIR), Dhaka 1205, Bangladesh; Corresponding author.High crystalline preferred oriented low strain anatase utilizing a novel and unique approach employing the powder X-ray diffraction (XRD) technique is the prime focus of the investigation. This process effectively enhanced controlled crystalline phase growth with 86.70 % anatase and 13.30 % rutile confirmed through Rietveld refinement in the WPPF method. The prominent crystalline phase providing insights into lattice parameters a = b = 3.7882 Å, c = 9.5143 Å, α=β=γ= 90.0° where lattice strain 0.280 %, lattice volume 136.533 Å3, specific surface area 84.69 m2/g, dislocation density 2.94 × 10–3 nm−2, morphology index 0.722, preference growth -0.087 and packing efficiency 70.13 %. The most intense diffraction was attributed to the (101) plane at 2θ= 25.288° The average crystallite size through various models was 18.45 nm (Scherrer equation), 34.08 nm (Williamson-Hall plot), 22.12 nm (Monshi-Scherrer model), 18.49 nm (Sahadat-Scherrer model), 22.44 nm (Size-strain plot model) and 17.87 nm (Halder-Wagner model) confirming the formation of nano-sized anatase phase of titanium dioxide nanoparticles. The standard powder nanocrystals exhibit a crystallinity of 67.87 %, underscoring the efficacy of the highly oriented anatase with desirable structural and diffraction properties. `This reduction in crystal structure defects and strain, alongside a smaller lattice volume improved stability and high crystalline anatase predominant (101) was observed at low temperatures.http://www.sciencedirect.com/science/article/pii/S1026918524001252AnataseCrystallineRefinementRutileWPPF |
| spellingShingle | Md. Ashraful Alam Shanawaz Ahmed Raton Kumar Bishwas Sabrina Mostofa Shirin Akter Jahan X-ray crystallographic diffraction study by whole powder pattern fitting (WPPF) method: Refinement of crystalline nanostructure polymorphs TiO2 South African Journal of Chemical Engineering Anatase Crystalline Refinement Rutile WPPF |
| title | X-ray crystallographic diffraction study by whole powder pattern fitting (WPPF) method: Refinement of crystalline nanostructure polymorphs TiO2 |
| title_full | X-ray crystallographic diffraction study by whole powder pattern fitting (WPPF) method: Refinement of crystalline nanostructure polymorphs TiO2 |
| title_fullStr | X-ray crystallographic diffraction study by whole powder pattern fitting (WPPF) method: Refinement of crystalline nanostructure polymorphs TiO2 |
| title_full_unstemmed | X-ray crystallographic diffraction study by whole powder pattern fitting (WPPF) method: Refinement of crystalline nanostructure polymorphs TiO2 |
| title_short | X-ray crystallographic diffraction study by whole powder pattern fitting (WPPF) method: Refinement of crystalline nanostructure polymorphs TiO2 |
| title_sort | x ray crystallographic diffraction study by whole powder pattern fitting wppf method refinement of crystalline nanostructure polymorphs tio2 |
| topic | Anatase Crystalline Refinement Rutile WPPF |
| url | http://www.sciencedirect.com/science/article/pii/S1026918524001252 |
| work_keys_str_mv | AT mdashrafulalam xraycrystallographicdiffractionstudybywholepowderpatternfittingwppfmethodrefinementofcrystallinenanostructurepolymorphstio2 AT shanawazahmed xraycrystallographicdiffractionstudybywholepowderpatternfittingwppfmethodrefinementofcrystallinenanostructurepolymorphstio2 AT ratonkumarbishwas xraycrystallographicdiffractionstudybywholepowderpatternfittingwppfmethodrefinementofcrystallinenanostructurepolymorphstio2 AT sabrinamostofa xraycrystallographicdiffractionstudybywholepowderpatternfittingwppfmethodrefinementofcrystallinenanostructurepolymorphstio2 AT shirinakterjahan xraycrystallographicdiffractionstudybywholepowderpatternfittingwppfmethodrefinementofcrystallinenanostructurepolymorphstio2 |