Shuxia Tao

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 44

Top Topics

Capillary Electrophoresis

Molecular Dynamics

Perovskite Solar Cells

Top Venues

ACS applied materials & interfaces

The journal of physical chemistry letters

ACS energy letters

The journal of physical chemistry. C, Nanomaterials and interfaces

This page only lists publications with an associated author ORCID identifier.

Publications

Haibo Xue, Zehua Chen, Shuxia Tao, Geert Brocks
Defects in Halide Perovskites: Does It Help to Switch from 3D to 2D? ACS energy letters 9 (5) (2024)
Mike Pols, Geert Brocks, Sofía Calero, Shuxia Tao
Temperature-Dependent Chirality in Halide Perovskites. The journal of physical chemistry letters (2024)
Mike Pols, Geert Brocks, Sofía Calero, Shuxia Tao
Temperature-Dependent Chirality in Halide Perovskites. The journal of physical chemistry letters 15 (31) (2024)
Mike Pols, Victor Brouwers, Sofía Calero, Shuxia Tao
Correction: How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields. Chemical communications (Cambridge, England) (2024)
Mike Pols, Geert Brocks, Sofía Calero, Shuxia Tao
Temperature-Dependent Chirality in Halide Perovskites. The journal of physical chemistry letters 15 (31) (2024)
Haibo Xue, Zehua Chen, Shuxia Tao, Geert Brocks
Defects in Halide Perovskites: Does It Help to Switch from 3D to 2D? ACS energy letters 9 (5) (2024)
Sofia Apergi, Geert Brocks, Shuxia Tao, Selina Olthof
Probing the Reactivity of ZnO with Perovskite Precursors. ACS applied materials & interfaces 16 (12) (2024)
Sofia Apergi, Geert Brocks, Shuxia Tao, Selina Olthof
Probing the Reactivity of ZnO with Perovskite Precursors. ACS applied materials & interfaces 16 (12) (2024)
Mike Pols, Adri C T van Duin, Sofía Calero, Shuxia Tao
Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (9) (2024)
Mike Pols, Adri C T van Duin, Sofía Calero, Shuxia Tao
Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (9) (2024)
Sofia Apergi, Geert Brocks, Shuxia Tao, Selina Olthof
Probing the Reactivity of ZnO with Perovskite Precursors. ACS applied materials & interfaces (2024)
Mike Pols, Geert Brocks, Sofía Calero, Shuxia Tao
Temperature-Dependent Chirality in Halide Perovskites. The journal of physical chemistry letters 15 (31) (2024)
Sofia Apergi, Geert Brocks, Shuxia Tao, Selina Olthof
Probing the Reactivity of ZnO with Perovskite Precursors. ACS applied materials & interfaces 16 (12) (2024)
Mike Pols, Victor Brouwers, Sofía Calero, Shuxia Tao
Correction: How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields. Chemical communications (Cambridge, England) 60 (20) (2024)
Shuxia Tao, Lakshminarayana Polavarapu, Paola Vivo
Perovskite photovoltaics: stability and scalability. Scientific reports 13 (1) (2023)
Haibo Xue, Jose Manuel Vicent-Luna, Shuxia Tao, Geert Brocks
Compound Defects in Halide Perovskites: A First-Principles Study of CsPbI 3 . The journal of physical chemistry. C, Nanomaterials and interfaces 127 (2) (2023)
Zehua Chen, Haibo Xue, Geert Brocks, Peter A Bobbert, Shuxia Tao
Thermodynamic Origin of the Photostability of the Two-Dimensional Perovskite PEA 2 Pb(I 1- x Br x ) 4 . ACS energy letters 8 (2) (2023)
Zhaotong Qin, Haibo Xue, Minchao Qin, Yuhao Li, Xiao Wu, Wei-Ru Wu, Chun-Jen Su, Geert Brocks, Shuxia Tao, Xinhui Lu
Critical Influence of Organic A'-Site Ligand Structure on 2D Perovskite Crystallization. Small (Weinheim an der Bergstrasse, Germany) (2023)
Zhaotong Qin, Mike Pols, Minchao Qin, Jianquan Zhang, He Yan, Shuxia Tao, Xinhui Lu
Over-18%-Efficiency Quasi-2D Ruddlesden-Popper Pb-Sn Mixed Perovskite Solar Cells by Compositional Engineering. ACS energy letters 8 (7) (2023)
Andrea E A Bracesco, Jarvi W P Jansen, Haibo Xue, Valerio Zardetto, Geert Brocks, Wilhelmus Erwin M M Kessels, Shuxia Tao, Mariadriana Creatore
In Situ IR Spectroscopy Studies of Atomic Layer-Deposited SnO 2 on Formamidinium-Based Lead Halide Perovskite. ACS applied materials & interfaces (2023)
Zehua Chen, Haibo Xue, Geert Brocks, Peter A Bobbert, Shuxia Tao
Thermodynamic Origin of the Photostability of the Two-Dimensional Perovskite PEA 2 Pb(I 1- x Br x ) 4 . ACS energy letters 8 (2) (2023)
Zhiwen Zhou, Qihua Li, Mojun Chen, Xuerong Zheng, Xiao Wu, Xinhui Lu, Shuxia Tao, Ni Zhao
High-Mobility and Bias-Stable Field-Effect Transistors Based on Lead-Free Formamidinium Tin Iodide Perovskites. ACS energy letters 8 (10) (2023)
Zhaotong Qin, Haibo Xue, Minchao Qin, Yuhao Li, Xiao Wu, Wei-Ru Wu, Chun-Jen Su, Geert Brocks, Shuxia Tao, Xinhui Lu
Critical Influence of Organic A'-Site Ligand Structure on 2D Perovskite Crystallization. Small (Weinheim an der Bergstrasse, Germany) 19 (12) (2023)
Shuxia Tao, Lakshminarayana Polavarapu, Paola Vivo
Perovskite photovoltaics: stability and scalability. Scientific reports 13 (1) (2023)
Sofia Apergi, Geert Brocks, Shuxia Tao
Calculating the Circular Dichroism of Chiral Halide Perovskites: A Tight-Binding Approach. The journal of physical chemistry letters (2023)
Haibo Xue, Jose Manuel Vicent-Luna, Shuxia Tao, Geert Brocks
Compound Defects in Halide Perovskites: A First-Principles Study of CsPbI 3 . The journal of physical chemistry. C, Nanomaterials and interfaces 127 (2) (2023)
Mike Pols, Victor Brouwers, Sofía Calero, Shuxia Tao
How fast do defects migrate in halide perovskites: insights from on-the-fly machine-learned force fields. Chemical communications (Cambridge, England) (2023)
Shuxia Tao, Lakshminarayana Polavarapu, Paola Vivo
Perovskite photovoltaics: stability and scalability. Scientific reports 13 (1) (2023)
Jun Xi, Junke Jiang, Herman Duim, Lijun Chen, Jiaxue You, Giuseppe Portale, Shengzhong Frank Liu, Shuxia Tao, Maria Antonietta Loi
On the mechanism of solvents catalyzed structural transformation in metal halide perovskites. Advanced materials (Deerfield Beach, Fla.) (2023)
Jinqiu Liu, Chao Zhu, Mike Pols, Zhen Zhang, Fengrui Hu, Lin Wang, Chun-Feng Zhang, Zheng Liu, Shuxia Tao, Min Xiao, Xiaoyong Wang
Discrete Elemental Distributions inside a Single Mixed-Halide Perovskite Nanocrystal for the Self-Assembly of Multiple Quantum-Light Sources. Nano letters (2023)
Simon Kahmann, Zehua Chen, Oleh Hordiichuk, Olga Nazarenko, Shuyan Shao, Maksym V Kovalenko, Graeme R Blake, Shuxia Tao, Maria Antonietta Loi
Compositional Variation in FAPb 1- x Sn x I 3 and Its Impact on the Electronic Structure: A Combined Density Functional Theory and Experimental Study. ACS applied materials & interfaces 14 (30) (2022)
Juan Antonio Seijas-Bellido, Bipasa Samanta, Karen Valadez-Villalobos, Juan Jesús Gallardo, Javier Navas, Salvador R G Balestra, Rafael María Madero Castro, Jose Manuel Vicent-Luna, Shuxia Tao, Maytal Caspary Toroker, Juan Antonio Anta
Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principles. Journal of chemical information and modeling (2022)
Mike Pols, Tobias Hilpert, Ivo A W Filot, Adri C T van Duin, Sofía Calero, Shuxia Tao
What Happens at Surfaces and Grain Boundaries of Halide Perovskites: Insights from Reactive Molecular Dynamics Simulations of CsPbI 3 . ACS applied materials & interfaces 14 (36) (2022)
Chidozie Onwudinanti, Mike Pols, Geert Brocks, Vianney Koelman, Adri C T van Duin, Thomas Morgan, Shuxia Tao
A ReaxFF Molecular Dynamics Study of Hydrogen Diffusion in Ruthenium-The Role of Grain Boundaries. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (13) (2022)
Sofia Apergi, Christine Koch, Geert Brocks, Selina Olthof, Shuxia Tao
Decomposition of Organic Perovskite Precursors on MoO 3 : Role of Halogen and Surface Defects. ACS applied materials & interfaces 14 (30) (2022)
Xiaochen Wang, Tianxin Bai, Bin Yang, Ruiling Zhang, Daoyuan Zheng, Junke Jiang, Shuxia Tao, Feng Liu, Ke-Li Han
Germanium Halides Serving as Ideal Precursors: Designing a More Effective and Less Toxic Route to High-Optoelectronic-Quality Metal Halide Perovskite Nanocrystals. Nano letters 22 (2) (2022)
Yee Hui Robin Chang, Junke Jiang, Heng Yen Khong, Ismail Saad, Soo See Chai, Mohd Muzamir Mahat, Shuxia Tao
Stretchable AgX (X = Se, Te) for Efficient Thermoelectrics and Photovoltaics. ACS applied materials & interfaces 13 (21) (2021)
Mike Pols, Jose Manuel Vicent-Luna, Ivo A W Filot, Adri C T van Duin, Shuxia Tao
Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI3: A Reactive Force Field Molecular Dynamics Study. The journal of physical chemistry letters 12 (23) (2021)
Yuwei Guo, Sofia Apergi, Nan Li, Mengyu Chen, Chunyang Yin, Zhongcheng Yuan, Feng Gao, Fangyan Xie, Geert Brocks, Shuxia Tao, Ni Zhao
Phenylalkylammonium passivation enables perovskite light emitting diodes with record high-radiance operational lifetime: the chain length matters. Nature communications 12 (1) (2021)
Zehua Chen, Geert Brocks, Shuxia Tao, Peter A Bobbert
Unified theory for light-induced halide segregation in mixed halide perovskites. Nature communications 12 (1) (2021)
Kunal Datta, Bas T van Gorkom, Zehua Chen, Matthew J Dyson, Tom P A van der Pol, Stefan C J Meskers, Shuxia Tao, Peter A Bobbert, Martijn M Wienk, René A J Janssen
Effect of Light-Induced Halide Segregation on the Performance of Mixed-Halide Perovskite Solar Cells. ACS applied energy materials 4 (7) (2021)
Jose Manuel Vicent-Luna, Sofia Apergi, Shuxia Tao
Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight Binding: GFN1-xTB Method. Journal of chemical information and modeling 61 (9) (2021)
Junke Jiang, Feng Liu, Chao Ding, Shuxia Tao
The role of sodium in stabilizing tin-lead (Sn-Pb) alloyed perovskite quantum dots. Journal of materials chemistry. A 9 (20) (2021)
Shuxia Tao, Ines Schmidt, Geert Brocks, Junke Jiang, Ionut Tranca, Klaus Meerholz, Selina Olthof
Absolute energy level positions in tin- and lead-based halide perovskites. Nature communications 10 (1) (2019)