Search Results - "Pols, Mike"

Effect of Triplet Confinement on Triplet–Triplet Annihilation in Organic Phosphorescent Host–Guest Systems by Ligthart, Arnout, de Vries, Xander, Zhang, Le, Pols, Mike C. W. M., Bobbert, Peter A., van Eersel, Harm, Coehoorn, Reinder

“…The efficiency of phosphorescent organic light emitting diodes (OLEDs) shows a decrease with increasing luminance (“roll‐off”). One of the contributions to the…”
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Refined GFN1-xTB Parameters for Engineering Phase-Stable CsPbX 3 Perovskites by Raaijmakers, Sander, Pols, Mike, Vicent-Luna, José Manuel, Tao, Shuxia

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Temperature-Dependent Chirality in Halide Perovskites by Pols, Mike, Brocks, Geert, Calero, Sofía, Tao, Shuxia

“…With the use of chiral organic cations in two-dimensional metal halide perovskites, chirality can be induced in the metal halide layers, which results in…”
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What Happens at Surfaces and Grain Boundaries of Halide Perovskites: Insights from Reactive Molecular Dynamics Simulations of CsPbI3 by Pols, Mike, Hilpert, Tobias, Filot, Ivo A.W., van Duin, Adri C.T., Calero, Sofía, Tao, Shuxia

“…The commercialization of perovskite solar cells is hindered by the poor long-term stability of the metal halide perovskite (MHP) light-absorbing layer…”
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What Happens at Surfaces and Grain Boundaries of Halide Perovskites: Insights from Reactive Molecular Dynamics Simulations of CsPbI 3 by Pols, Mike, Hilpert, Tobias, Filot, Ivo A.W., van Duin, Adri C.T., Calero, Sofía, Tao, Shuxia

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Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI3: A Reactive Force Field Molecular Dynamics Study by Pols, Mike, Vicent-Luna, José Manuel, Filot, Ivo, van Duin, Adri C. T, Tao, Shuxia

“…Halide perovskites make efficient solar cells but suffer from several stability issues. The characterization of these degradation processes is challenging…”
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Discrete Elemental Distributions inside a Single Mixed-Halide Perovskite Nanocrystal for the Self-Assembly of Multiple Quantum-Light Sources by Liu, Jinqiu, Zhu, Chao, Pols, Mike, Zhang, Zhen, Hu, Fengrui, Wang, Lin, Zhang, Chunfeng, Liu, Zheng, Tao, Shuxia, Xiao, Min, Wang, Xiaoyong

“…An in-depth understanding of the structure–property relationships in semiconductor mixed-halide perovskites is critical for their potential applications in…”
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Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations by Pols, Mike, van Duin, Adri C. T., Calero, Sofía, Tao, Shuxia

“…All-inorganic halide perovskites have received a great deal of attention as attractive alternatives to overcome the stability issues of hybrid halide…”
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Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI 3 : A Reactive Force Field Molecular Dynamics Study by Pols, Mike, Vicent-Luna, José Manuel, Filot, Ivo, van Duin, Adri C. T., Tao, Shuxia

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Engineering the Phases and Heterostructures of Ultrathin Hybrid Perovskite Nanosheets by Sun, Yan, Yin, Yao, Pols, Mike, Zhong, Jingxian, Huang, Zhen, Liu, Bowen, Liu, Jinqiu, Wang, Wei, Xie, Hongguang, Zhan, Guixiang, Zhou, Zishu, Zhang, Wei, Wang, Pengcheng, Zha, Chenyang, Jiang, Xiaohong, Ruan, Yinjie, Zhu, Chao, Brocks, Geert, Wang, Xiaoyong, Wang, Lin, Wang, Jianpu, Tao, Shuxia, Huang, Wei

“…Low‐dimensional perovskites have gained increasing attention recently, and engineering their material phases, structural patterning and interfacial properties…”
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Over-18%-Efficiency Quasi-2D Ruddlesden–Popper Pb–Sn Mixed Perovskite Solar Cells by Compositional Engineering by Qin, Zhaotong, Pols, Mike, Qin, Minchao, Zhang, Jianquan, Yan, He, Tao, Shuxia, Lu, Xinhui

“…Quasi-two-dimensional (2D) Pb–Sn mixed perovskites show great potential in applications of single and tandem photovoltaic devices, but they suffer from low…”
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A ReaxFF Molecular Dynamics Study of Hydrogen Diffusion in Ruthenium–The Role of Grain Boundaries by Onwudinanti, Chidozie, Pols, Mike, Brocks, Geert, Koelman, Vianney, van Duin, Adri C. T, Morgan, Thomas, Tao, Shuxia

“…Ruthenium (Ru) thin films are used as protective caps for the multilayer mirrors in extreme ultraviolet lithography machines. When these mirrors are exposed to…”
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Refined GFN1-xTB Parameters for Engineering Phase-Stable CsPbX3 Perovskites by Raaijmakers, Sander, Pols, Mike, Vicent-Luna, José Manuel, Tao, Shuxia

“…Halide perovskites are a promising class of materials for optoelectronic applications due to their excellent optoelectronic performance. However, they suffer…”
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Improving the Water Resistance of Bi‐Based Perovskite‐Inspired Materials for Vapor‐Phase Photocatalytic Overall Water Splitting by Chacón‐García, Antonio J., Baldovi, Herme G., Pols, Mike, Tao, Shuxia, Calero, Sofia, Navalón, Sergio, Vitorica‐Yrezabal, Iñigo J., Rodríguez‐Diéguez, Antonio, García, Hermenegildo, Horcajada, Patricia, Pérez, Yolanda

“…Lead halide perovskites are well known for their exceptional photophysical and electronic properties, which have placed them at the forefront of challenging…”
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Tracing Ion Migration in Halide Perovskites with Machine Learned Force Fields by Tyagi, Viren, Pols, Mike, Brocks, Geert, Tao, Shuxia

“…Halide perovskite optoelectronic devices suffer from chemical degradation and current-voltage hysteresis induced by migration of highly mobile charged defects…”
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Temperature-Dependent Chirality in Halide Perovskites by Pols, Mike, Brocks, Geert, Calero, Sofía, Tao, Shuxia

“…J. Phys. Chem. Lett. 15 (2024), 8057-8064 With the use of chiral organic cations in two-dimensional metal halide perovskites, chirality can be induced in the…”
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Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations by Pols, Mike, van Duin, Adri C. T, Calero, Sofía, Tao, Shuxia

“…J. Phys. Chem. C 128 (2024), 4111-4118 All-inorganic halide perovskites have received a lot of attention as attractive alternatives to overcome the stability…”
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A Reparameterized Density Functional Tight-Binding Method for Engineering phase-stable CsPbX\textsubscript{3} Perovskites by Raaijmakers, Sander, Pols, Mike, Vicent-Luna, José Manuel, Tao, Shuxia

“…Halide perovskites are a promising class of materials for optoelectronic applications, due to their excellent optoelectronic performance. However, they suffer…”
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What Happens at Surfaces and Grain Boundaries of Halide Perovskites: Insights from Reactive Molecular Dynamics Simulations of CsPbI$_{3} by Pols, Mike, Hilpert, Tobias, Filot, Ivo, van Duin, Adri C. T, Calero, Sofía, Tao, Shuxia

“…ACS Appl. Mater. Interfaces 14 (2022) 40841-40850 The commercialization of perovskite solar cells is hindered by the poor long-term stability of the metal…”
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A ReaxFF molecular dynamics study of hydrogen diffusion in ruthenium -- the role of grain boundaries by Onwudinanti, Chidozie, Pols, Mike, Brocks, Geert, Koelman, Vianney, van Duin, Adri C. T, Morgan, Thomas, Tao, Shuxia

“…Ruthenium thin films can serve as protective caps for multi-layer extreme ultraviolet mirrors exposed to atomic hydrogen. Hydrogen permeation through ruthenium…”
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