Tao S - Search Results

1

Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight Binding: GFN1-xTB Method.

Vicent-Luna JM, Apergi S, Tao S. Vicent-Luna JM, et al. Among authors: tao s. J Chem Inf Model. 2021 Sep 27;61(9):4415-4424. doi: 10.1021/acs.jcim.1c00432. Epub 2021 Aug 20. J Chem Inf Model. 2021. PMID: 34414764 Free PMC article.

2

Phenylalkylammonium passivation enables perovskite light emitting diodes with record high-radiance operational lifetime: the chain length matters.

Guo Y, Apergi S, Li N, Chen M, Yin C, Yuan Z, Gao F, Xie F, Brocks G, Tao S, Zhao N. Guo Y, et al. Among authors: tao s. Nat Commun. 2021 Jan 28;12(1):644. doi: 10.1038/s41467-021-20970-6. Nat Commun. 2021. PMID: 33510190 Free PMC article.

3

Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI₃: A Reactive Force Field Molecular Dynamics Study.

Pols M, Vicent-Luna JM, Filot I, van Duin ACT, Tao S. Pols M, et al. Among authors: tao s. J Phys Chem Lett. 2021 Jun 17;12(23):5519-5525. doi: 10.1021/acs.jpclett.1c01192. Epub 2021 Jun 7. J Phys Chem Lett. 2021. PMID: 34096726 Free PMC article.

4

Decomposition of Organic Perovskite Precursors on MoO₃: Role of Halogen and Surface Defects.

Apergi S, Koch C, Brocks G, Olthof S, Tao S. Apergi S, et al. Among authors: tao s. ACS Appl Mater Interfaces. 2022 Aug 3;14(30):34208-34219. doi: 10.1021/acsami.1c20847. Epub 2022 Feb 2. ACS Appl Mater Interfaces. 2022. PMID: 35107986 Free PMC article. Review.

5

Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principles.

Seijas-Bellido JA, Samanta B, Valadez-Villalobos K, Gallardo JJ, Navas J, Balestra SRG, Madero Castro RM, Vicent-Luna JM, Tao S, Toroker MC, Anta JA. Seijas-Bellido JA, et al. Among authors: tao s. J Chem Inf Model. 2022 Dec 26;62(24):6423-6435. doi: 10.1021/acs.jcim.1c01506. Epub 2022 May 16. J Chem Inf Model. 2022. PMID: 35576452 Free PMC article.

6

Diammonium-Mediated Perovskite Film Formation for High-Luminescence Red Perovskite Light-Emitting Diodes.

Li N, Apergi S, Chan CCS, Jia Y, Xie F, Liang Q, Li G, Wong KS, Brocks G, Tao S, Zhao N. Li N, et al. Among authors: tao s. Adv Mater. 2022 Jul;34(30):e2202042. doi: 10.1002/adma.202202042. Epub 2022 Jun 22. Adv Mater. 2022. PMID: 35642723

7

Compound Defects in Halide Perovskites: A First-Principles Study of CsPbI₃.

Xue H, Vicent-Luna JM, Tao S, Brocks G. Xue H, et al. Among authors: tao s. J Phys Chem C Nanomater Interfaces. 2023 Jan 5;127(2):1189-1197. doi: 10.1021/acs.jpcc.2c06789. eCollection 2023 Jan 19. J Phys Chem C Nanomater Interfaces. 2023. PMID: 36704664 Free PMC article.

8

Multifunctional Additive CdAc₂ for Efficient Perovskite-Based Solar Cells.

Ren N, Wang P, Jiang J, Li R, Han W, Liu J, Zhu Z, Chen B, Xu Q, Li T, Shi B, Huang Q, Zhang D, Apergi S, Brocks G, Zhu C, Tao S, Zhao Y, Zhang X. Ren N, et al. Among authors: tao s. Adv Mater. 2023 Aug;35(32):e2211806. doi: 10.1002/adma.202211806. Epub 2023 Jun 29. Adv Mater. 2023. PMID: 37226815

9

Calculating the Circular Dichroism of Chiral Halide Perovskites: A Tight-Binding Approach.

Apergi S, Brocks G, Tao S. Apergi S, et al. Among authors: tao s. J Phys Chem Lett. 2023 Dec 28;14(51):11565-11572. doi: 10.1021/acs.jpclett.3c02705. Epub 2023 Dec 14. J Phys Chem Lett. 2023. PMID: 38096543 Free PMC article.

10

Probing the Reactivity of ZnO with Perovskite Precursors.

Apergi S, Brocks G, Tao S, Olthof S. Apergi S, et al. Among authors: tao s. ACS Appl Mater Interfaces. 2024 Mar 27;16(12):14984-14994. doi: 10.1021/acsami.4c01945. Epub 2024 Mar 14. ACS Appl Mater Interfaces. 2024. PMID: 38483310 Free PMC article.

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