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
AuthorsLiu, 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.

KeywordsCondensed Matter Physics; General Materials Science; General Chemistry
Year2023
JournalCrystal Growth & Design
Journal citation23 (12), pp. 8575-8583
PublisherAmerican Chemical Society (ACS)
ISSN1528-7483
1528-7505
Digital Object Identifier (DOI)https://doi.org/10.1021/acs.cgd.3c00608
Funder/ClientNatural 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
Online15 Nov 2023
Publication process dates
Accepted18 Oct 2023
Deposited28 Nov 2023
Publisher's version
License
File Access Level
Open
Licensehttps://creativecommons.org/licenses/by/4.0/
Permalink -

https://openresearch.lsbu.ac.uk/item/95qy3

  • 53
    total views
  • 28
    total downloads
  • 5
    views this month
  • 3
    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.2c03454
Implementing 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/coatings12070953
Thermal 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.202200171
Artificial 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/coatings12020225
A 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/s41545-021-00131-4
Large 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-z
Atomic 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/s41871-021-00109-3
Hypothesis 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/coatings11020222
Horizons 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.2020.100356
Phase 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-x
Resilient 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.2020.100300
Synthesis 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.2020.02.050
Highly 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/coatings10050472
Optical 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
Ambient stable, hydrophobic, electrically conductive porphyrin hole-extracting materials for printable perovskite solar cells
Reddy, G., Katakam, R., Devulapally, K., Jones, L.A., Della Gaspera, E., Upadhyaya, H.M., Islavath, N. and Giribabu, L. (2019). Ambient stable, hydrophobic, electrically conductive porphyrin hole-extracting materials for printable perovskite solar cells. Journal of Materials Chemistry C. 7 (16), pp. 4702-4708. https://doi.org/10.1039/c9tc00605b
Optimizing room temperature binder free TiO2 paste for high efficiency flexible polymer dye sensitized solar cells
Kishore Kumar, D, Hsu, MH, Ivaturi, A, Chen, B, Bennett, N and Upadhyaya, HM (2019). Optimizing room temperature binder free TiO2 paste for high efficiency flexible polymer dye sensitized solar cells. Flexible and Printed Electronics. 4 (1), pp. 015007-015007. https://doi.org/10.1088/2058-8585/ab02c4
Low-temperature titania-graphene quantum dots paste for flexible dye-sensitised solar cell applications
Kumar, DK, Suazo-Davila, D, García-Torres, D, Cook, NP, Ivaturi, A, Hsu, MH, Martí, AA, Cabrera, CR, Chen, B, Bennett, N and Upadhyaya, HM (2019). Low-temperature titania-graphene quantum dots paste for flexible dye-sensitised solar cell applications. Electrochimica Acta. 305, pp. 278-284. https://doi.org/10.1016/j.electacta.2019.03.040
Scalable screen-printing manufacturing process for graphene oxide platinum free alternative counter electrodes in efficient dye sensitized solar cells
Kumar, DK, Swami, SK, Dutta, V, Chen, B, Bennett, N and Upadhyaya, HM (2019). Scalable screen-printing manufacturing process for graphene oxide platinum free alternative counter electrodes in efficient dye sensitized solar cells. FlatChem. 15, pp. 100105-100105. https://doi.org/10.1016/j.flatc.2019.100105
Screen printed tin selenide films used as the counter electrodes in dye sensitized solar cells
Kishore Kumar, D, Popuri, SR, Swami, SK, Onuoha, OR, Bos, JW, Chen, B, Bennett, N and Upadhyaya, HM (2019). Screen printed tin selenide films used as the counter electrodes in dye sensitized solar cells. Solar Energy. 190, pp. 28-33. https://doi.org/10.1016/j.solener.2019.07.066
Investigating the emission characteristics of single crystal YAG when activated by high power laser beams
Salimian, A, Silver, J, Fern, GR, Upadhyaya, H, Metcalfe, A, Ireland, TG, Harris, P and Haghpanahan, R (2016). Investigating the emission characteristics of single crystal YAG when activated by high power laser beams. ECS Journal of Solid State Science and Technology. 5 (10), pp. R172-R177. https://doi.org/10.1149/2.0271610jss
Laser diode induced lighting modules
Salimian, A., Fern, G.R., Upadhyaya, H. and Silver, J. (2016). Laser diode induced lighting modules. ECS Journal of Solid State Science and Technology. 5 (3), pp. R26-R33. https://doi.org/10.1149/2.0101603jss
High mobility titanium-doped indium oxide for use in tandem solar cells deposited via pulsed DC magnetron sputtering
Grew, B, Bowers, JW, Lisco, F, Arnou, N, Walls, JM and Upadhyaya, HM (2014). High mobility titanium-doped indium oxide for use in tandem solar cells deposited via pulsed DC magnetron sputtering. Energy Procedia. 60 (C), pp. 148-155. https://doi.org/10.1016/j.egypro.2014.12.357
Design and optimisation of process parameters in an in-line CIGS evaporation pilot system
Wei, Z., Bobbili, P.R., Senthilarasu, S., Shimell, T. and Upadhyaya, H.M. (2014). Design and optimisation of process parameters in an in-line CIGS evaporation pilot system. Surface & Coatings Technology. 241, pp. 159-167. https://doi.org/10.1016/j.surfcoat.2013.10.033
Spray deposited copper zinc tin sulphide (Cu<inf>2</inf>ZnSnS<inf>4</inf>) film as a counter electrode in dye sensitized solar cells
Swami, S.K., Chaturvedi, N., Kumar, A., Chander, N., Dutta, V., Kumar, D.K., Ivaturi, A., Senthilarasu, S. and Upadhyaya, H.M. (2014). Spray deposited copper zinc tin sulphide (Cu<inf>2</inf>ZnSnS<inf>4</inf>) film as a counter electrode in dye sensitized solar cells. Physical Chemistry Chemical Physics. 16 (43), pp. 23993-23999. https://doi.org/10.1039/c4cp03312d