Graphene-like Dispersion and Strong Optical Absorption in Two-Dimensional RP-type Sr3Ti2S7 Perovskite
Journal article
Liu, H., Gao, R., Yang, J., Banthia, R.D., Yang, F., Wang, T., Upadhyaya, H. and Jain, S. (2023). Graphene-like Dispersion and Strong Optical Absorption in Two-Dimensional RP-type Sr3Ti2S7 Perovskite. Crystal Growth & Design. 23 (12), pp. 8575-8583. https://doi.org/10.1021/acs.cgd.3c00608
| Authors | Liu, H., Gao, R., Yang, J., Banthia, R.D., Yang, F., Wang, T., Upadhyaya, H. and Jain, S. |
|---|---|
| Abstract | Two-dimensional (2D) Ruddlesden–Popper (RP) perovskite alloys have recently become attractive due to many desired physical properties originating from distinct van der Waals-type layered structures. In this work, a novel 2D RP-type Sr3Ti2S7 perovskite material design is proposed by using first-principles calculations. Our results reveal that the 2D Sr3Ti2S7 perovskite possesses dynamically stable structures, direct band structures with a band gap value of 0.86 eV, and a smaller effective mass (0.15/0.25 m0 for electron/hole) than MAPbI3 and phosphorene. More importantly, 2D Sr3Ti2S7 possesses wide optical spectra (from infrared-to ultraviolet-light region) and a higher absorption coefficient (105 cm–1) than MAPbI3, silicon, and MoS2 in the visible-light region. Interestingly, we also find that the ideal Dirac-like linear dispersion can appear near the Fermi level in the electronic band structures when compressive strain is applied. Especially, the Dirac-cone-like band structures can be realized when compressive strain is enhanced to −6%, indicating ultrahigh carrier mobility. These properties make the 2D Sr3Ti2S7 perovskite a promising candidate for future applications in solar cells and optoelectronic devices. |
| Keywords | Condensed Matter Physics; General Materials Science; General Chemistry |
| Year | 2023 |
| Journal | Crystal Growth & Design |
| Journal citation | 23 (12), pp. 8575-8583 |
| Publisher | American Chemical Society (ACS) |
| ISSN | 1528-7483 |
| 1528-7505 | |
| Digital Object Identifier (DOI) | https://doi.org/10.1021/acs.cgd.3c00608 |
| Funder/Client | Natural Science Foundation of Shanxi Province |
| Cranfield University | |
| Henan Normal University | |
| National Natural Science Foundation of China | |
| Henan Provincial Science and Technology Research Project | |
| Henan Province College Youth Backbone Teacher Project | |
| Publication dates | |
| Online | 15 Nov 2023 |
| Publication process dates | |
| Accepted | 18 Oct 2023 |
| Deposited | 28 Nov 2023 |
| Publisher's version | License File Access Level Open |
| License | https://creativecommons.org/licenses/by/4.0/ |
Permalink -
https://openresearch.lsbu.ac.uk/item/95qy3
Download files
Publisher's version
| liu-et-al-2023-graphene-like-dispersion-and-strong-optical-absorption-in-two-dimensional-rp-type-sr3ti2s7-perovskite.pdf | ||
| License: CC BY 4.0 | ||
| File access level: Open | ||
27
total views3
total downloads0
views this month0
downloads this month
Export as
Related outputs
Tin Sulfide (SnS) Films Deposited by an Electric Field-Assisted Continuous Spray Pyrolysis Technique with Application as Counter Electrodes in Dye-Sensitized Solar Cells
Mohammad, T., Alam, F., Sadhanala, A., Upadhyaya, H.M. and Dutta, Viresh (2022). Tin Sulfide (SnS) Films Deposited by an Electric Field-Assisted Continuous Spray Pyrolysis Technique with Application as Counter Electrodes in Dye-Sensitized Solar Cells. ACS Omega. 7 (44), p. 39690–39696. https://doi.org/10.1021/acsomega.2c03454Implementing Supervised and Unsupervised Deep-Learning Methods to Predict Sputtering Plasma Features, a Step toward Digitizing Sputter Deposition of Thin Films
Salimian, A., Pardo Sanchez, C., Hasnath, M., Haine, E. and Upadhyaya, H. (2022). Implementing Supervised and Unsupervised Deep-Learning Methods to Predict Sputtering Plasma Features, a Step toward Digitizing Sputter Deposition of Thin Films. Coatings. 12 (7), p. 953. https://doi.org/10.3390/coatings12070953Thermal spray coatings for electromagnetic wave absorption and interference shielding: a review and future challenges
Faisal, N.H., Ahmed, R., Sellami, N., Prathuru, A., Njuguna, J., Venturi, F., Hussain, T., Nezhad, H.Y., Kumar, N., Goel, S., Upadhyaya, H., Joshi, S., Muhammad-Sukki, F., Prabhu, R., Mallick, T., Whittow, W. and Kamnis, S. (2022). Thermal spray coatings for electromagnetic wave absorption and interference shielding: a review and future challenges. Advanced Engineering Materials. https://doi.org/10.1002/adem.202200171Artificial Neural Networks to Predict Sheet Resistance of Indium-Doped Zinc Oxide Thin Films Deposited via Plasma Deposition
Salimian, A., Aminishahsavarani, A. and Upadhyaya, H. (2022). Artificial Neural Networks to Predict Sheet Resistance of Indium-Doped Zinc Oxide Thin Films Deposited via Plasma Deposition. Coatings. 12 (2), p. 225. https://doi.org/10.3390/coatings12020225A Bibliometric Study on Biomimetic and Bioinspired Membranes for Water Filtration
Goel, G., Hélix-Nielsen, C., Upadhyaya, H. and Goel, S. (2021). A Bibliometric Study on Biomimetic and Bioinspired Membranes for Water Filtration . npj Clean Water. 4. https://doi.org/10.1038/s41545-021-00131-4Large scale manufacturing route to metamaterial coatings using thermal spray techniques and their response to solar radiation
Faisal, N.H., Sellami, N., Venturi, F., Hussain, T., Mallick, T., Muhammad-Sukki, F., Bishop, A., Upadhyaya, H., Kumar, N. and Goel, S. (2021). Large scale manufacturing route to metamaterial coatings using thermal spray techniques and their response to solar radiation. Emergent Materials. https://doi.org/10.1007/s42247-021-00252-zAtomic scale friction studies on single crystal GaAs using AFM and molecular dynamics simulation
Fan, P., Goel, S., Luo, X. and Upadhyaya, H. (2021). Atomic scale friction studies on single crystal GaAs using AFM and molecular dynamics simulation. Nanomanufacturing and Metrology. https://doi.org/10.1007/s41871-021-00109-3Hypothesis on the Influence of the Magnetic Behaviour of Hydrogen Doped Zinc Oxide during Its Plasma Sputtering Process
Salimian, A., Hasnath, A., Aminishahsavarani, A. and Upadhyaya, H. (2021). Hypothesis on the Influence of the Magnetic Behaviour of Hydrogen Doped Zinc Oxide during Its Plasma Sputtering Process. Coatings. 11 (2), p. e222. https://doi.org/10.3390/coatings11020222Horizons of modern molecular dynamics simulation in digitalised solid freeform fabrication with advanced materials
Goel, S., Knaggs, M., Goel, G., Zhou, X. W., Upadhyaya, H.M., Thakur, V. F., Kumar, V., Bizarri, G., Tiwari, A., Murphy, A., Stukowskii, A. and Matthewsj, A. (2020). Horizons of modern molecular dynamics simulation in digitalised solid freeform fabrication with advanced materials. Materials Today Chemistry. 18, p. 100356. https://doi.org/10.1016/j.mtchem.2020.100356Phase evolution, morphological, optical and electrical properties of femtosecond pulsed laser deposited TiO2 thin films
Kumi-Barimah, E, Penhale-Jones, R, Salimian, A, Upadhyaya, H, Hasnath, A. and Jose, G (2020). Phase evolution, morphological, optical and electrical properties of femtosecond pulsed laser deposited TiO2 thin films. Scientific Reports. 10 (1). https://doi.org/10.1038/s41598-020-67367-xResilient and Agile Engineering Solutions to Address Societal Challenges like Coronavirus Pandemic
Goel, S., Hawi, S., Goel, G., Thakur, V.K., Pearce, O., Hoskins, C., Hussain, T., Agrawal, A., Upadhyaya, H., Cross, G. and Barber, A. (2020). Resilient and Agile Engineering Solutions to Address Societal Challenges like Coronavirus Pandemic. Materials Today Chemistry. https://doi.org/10.1016/j.mtchem.2020.100300Synthesis of SnSe quantum dots by successive ionic layer adsorption and reaction (SILAR) method for efficient solar cells applications
Kishore Kumar, D, Loskot, J, Kříž, J, Bennett, N, Upadhyaya, HM, Sadhu, V, Venkata Reddy, C and Reddy, KR (2020). Synthesis of SnSe quantum dots by successive ionic layer adsorption and reaction (SILAR) method for efficient solar cells applications. Solar Energy. 199, pp. 570-574. https://doi.org/10.1016/j.solener.2020.02.050Highly Conductive Zinc Oxide Based Transparent Conductive Oxide Films Prepared using RF Plasma Sputtering Under Reducing Atmosphere
Salimian, A., Upadhyaya, H., Hasnath, A., Aminishahsavarani, A., Pardo Sanchez, C., Anguilano, L., Uchechukwu O. and Sanchez, C (2020). Highly Conductive Zinc Oxide Based Transparent Conductive Oxide Films Prepared using RF Plasma Sputtering Under Reducing Atmosphere. Coatings. 10 (5), p. 472. https://doi.org/10.3390/coatings10050472Optical analysis of RF sputtering plasma through colour characterization
Salimian, A., Haghpanahan, R., Hasnath, A. and Upadhyaya, H. (2019). Optical analysis of RF sputtering plasma through colour characterization. Coatings. 9 (5), pp. 315-315. https://doi.org/10.3390/coatings9050315