Chiral Phonons in 2D Halide Perovskites

Authors: Pols, Mike, Brocks, Geert, Calero, Sofía, Tao, Shuxia

Subject Terms: Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics

Access URL: http://arxiv.org/abs/2411.17225

Tracing Ion Migration in Halide Perovskites with Machine Learned Force Fields

Authors: Tyagi, Viren, Pols, Mike, Brocks, Geert, Tao, Shuxia

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2409.16051

Temperature-Dependent Chirality in Halide Perovskites

Authors: Pols, Mike, Brocks, Geert, Calero, Sofía, Tao, Shuxia

Source: J. Phys. Chem. Lett. 15 (2024), 8057-8064

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2405.18643

Phase transitions of LaMnO$_3$ and SrRuO$_3$ from DFT + U based machine learning force fields simulations

Authors: Jansen, Thies, Brocks, Geert, Bokdam, Menno

Source: Phys. Rev. B 108, 235122, 2023

Subject Terms: Condensed Matter - Materials Science, Condensed Matter - Strongly Correlated Electrons

Access URL: http://arxiv.org/abs/2312.06492

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

Authors: Apergi, Sofia, Brocks, Geert, Tao, Shuxia

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2309.14002

Defects in Halide Perovskites: Does It Help to Switch from 3D to 2D?

Authors: Xue, Haibo, Chen, Zehua, Tao, Shuxia, Brocks, Geert

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2210.03415

Compound Defects in Halide Perovskites: A First-Principles Study of CsPbI$_3$

Authors: Xue, Haibo, Vicent-Luna, José Manuel, Tao, Shuxia, Brocks, Geert

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2209.03484

Light-tunable three-phase coexistence in mixed halide perovskites

Authors: Chen, Zehua, Brocks, Geert, Tao, Shuxia, Bobbert, Peter A.

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2208.10621

Evidence of Spin Frustration in Vanadium Diselenide Monolayer Magnet

Authors: Wong, Ping Kwan Johnny, Zhang, Wen, Bussolotti, Fabio, Yin, Xinmao, Herng, Tun Seng, Zhang, Lei, Huang, Yu Li, Vinai, Giovanni, Krishnamurthi, Sridevi, Bukhvalov, Danil W, Zheng, Yu Jie, Chua, Rebekah, Diaye, Alpha T N, Morton, Simon A., Yang, Chao-Yao, Yang, Kui-Hon Ou, Torelli, Piero, Chen, Wei, Goh, Kuan Eng Johnson, Ding, Jun, Lin, Minn-Tsong, Brocks, Geert, de Jong, Michel P, Neto, Antonio H Castro, Wee, Andrew Thye Shen

Source: Adv. Mater. 2019, 31, 1901185

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2206.02427

The Impacts and Origins of A-site Instability in Formamidinium-Cesium Lead Iodide Perovskite Solar Cells Under Extended Operation

Authors: Luo, Yanqi, Li, Nengxu, Chen, Zehua, Niu, Xiuxiu, Kumar, Rishi E., Jiang, Junke, Liu, Huifen, Chen, Oi, Lai, Barry, Brocks, Geert, Shuxia, Tao, Zhou, Huanping, Fenning, David P.

Source: 2020 47th IEEE Photovoltaic Specialists Conference (PVSC) Photovoltaic Specialists Conference (PVSC), 2020 47th IEEE. :0626-0628 Jun, 2020

Relation: 2020 IEEE 47th Photovoltaic Specialists Conference (PVSC)

The thermodynamic trends of intrinsic defects in primary halide perovskites: A first-principles study

Authors: Xue, Haibo, Brocks, Geert, Tao, Shuxia

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2112.15251

A ReaxFF molecular dynamics study of hydrogen diffusion in ruthenium -- the role of grain boundaries

Authors: Onwudinanti, Chidozie, Pols, Mike, Brocks, Geert, Koelman, Vianney, van Duin, Adri C. T., Morgan, Thomas, Tao, Shuxia

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2110.00440

First-principles calculations of defects in metal halide perovskites: a performance comparison of density functionals

Authors: Xue, Haibo, Brocks, Geert, Tao, Shuxia

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2104.01087

1D metallic states at 2D transition metal dichalcogenide semiconductor heterojunctions

Authors: Krishnamurthi, Sridevi, Brocks, Geert

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2008.06758

Tuning the Electronic Levels of NiO with Alkali Halides Surface Modifiers for Perovskite Solar Cells

Authors: Apergi, Sofia, Brocks, Geert, Tao, Shuxia

Source: Phys. Rev. Materials 4, 085403 (2020)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2008.05848

One-dimensional electronic instabilities at the edges of $MoS_2$

Authors: Krishnamurthi, Sridevi, Farmanbar, Mojtaba, Brocks, Geert

Source: Phys. Rev. B 102, 165142 (2020)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2007.15492

The Sign of Three: Spin/Charge Density Waves at the Boundaries of Transition Metal Dichalcogenides

Authors: Krishnamurthi, Sridevi, Brocks, Geert

Source: Phys. Rev. B 102, 161106 (2020)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2005.02519

The role of sulfur in sulfur-doped copper(I) iodide p-type transparent conductors

Authors: Mirza, Adeem Saeed, Pols, Mike, Soltanpoor, Wiria, Tao, Shuxia, Brocks, Geert, Morales-Masis, Monica

Source: In Matter 6 December 2023 6(12):4306-4320

Edge reconstruction of 2D-Xene (X [formula omitted] Si, Ge, Sn) zigzag nanoribbons

Authors: Gao, Yuqiang, Brocks, Geert

Source: In Physica E: Low-dimensional Systems and Nanostructures April 2023 148

Absolute energy level positions in tin and lead based halide perovskites

Authors: Tao, Shuxia, Schmidt, Ines, Brocks, Geert, Jiang, Junke, Tranca, Ionut, Meerholz, Klaus, Olthof, Selina

Source: Nat. Commun. 10, 2560 (2019)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1902.06646