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2020

Classification with a disordered dopant-atom network in silicon

Chen, T., van Gelder, J., van de Ven, B., Amitonov, S. V., de Wilde, B., Ruiz Euler, H. C., Broersma, H., Bobbert, P. A., Zwanenburg, F. A. & van der Wiel, W. G., 16 Jan 2020, In : Nature. 577, 7790, p. 341-345 5 p.

Research output: Contribution to journalArticleAcademicpeer-review

1 Citation (Scopus)

Diameter-dependent thermal conductivity of ultrathin GaP nanowires: a molecular dynamics study

Gireesan, S., Torres, P., Alvarez, F. X. & Bobbert, P. A., 29 Jan 2020, In : Physical Review B. 101, 2, 7 p., 024307.

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Near-Infrared emission from tin–Lead (Sn–Pb) alloyed perovskite quantum dots by sodium doping

Liu, F., Jiang, J., Zhang, Y., Ding, C., Toyoda, T., Hayase, S., Wang, R., Tao, S. & Shen, Q., 1 Jan 2020, (Accepted/In press) In : Angewandte Chemie - International Edition.

Research output: Contribution to journalArticleAcademicpeer-review

Quantitative predictions of photoelectron spectra in amorphous molecular solids from multiscale quasiparticle embedding

Tirimbo, G., de Vries, X., Weijtens, C. H. L., Bobbert, P. A., Coehoorn, R., Baumeier, B. & Neumann, T., 7 Jan 2020, In : Physical Review B. 101, 3, 10 p., 035402.

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1 Citation (Scopus)
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Stabilizing Perovskite Light-Emitting Diodes by incorporation of binary alkali cations

Li, N., Song, L., Jia, Y., Dong, Y., Xie, F., Wang, L., Tao, S. & Zhao, N., 1 Jan 2020, (Accepted/In press) In : Advanced Materials. p. e1907786

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
2019

Absolute energy level positions in tin- and lead-based halide perovskites

Tao, S., Schmidt, I., Brocks, G., Jiang, J., Tranca, I., Meerholz, K. & Olthof, S., 12 Jun 2019, In : Nature Communications. 10, 1, 10 p., 2560.

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12 Citations (Scopus)
42 Downloads (Pure)

Boosting the performance of WO3/n-Si heterostructures for photoelectrochemical water splitting: from the role of Si to interface engineering

Zhao, Y., Brocks, G., Genuit, H., Lavrijsen, R., Verheijen, M. A. & Bieberle-Hütter, A., 12 Jul 2019, In : Advanced Energy Materials. 9, 26, 11 p., 1900940.

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6 Citations (Scopus)

Cation and anion immobilization through chemical bonding enhancement with fluorides for stable halide perovskite solar cells

Li, N., Tao, S., Chen, Y., Niu, X., Onwudinanti, C. K., Hu, C., Qiu, Z., Xu, Z., Zheng, G., Wang, L., Li, L., Liu, H., Lun, Y., Hong, J., Wang, X., Liu, Y., Xie, H., Gao, Y., Bai, Y., Yang, S. & 3 others, Brocks, G., Chen, Q. & Zhou, H., 1 May 2019, In : Nature Energy. 4, 5, p. 408-415 8 p.

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64 Citations (Scopus)
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CsPb(IxBr1− x)3 solar cells

Jia, X., Zuo, C., Tao, S., Sun, K., Zhao, Y., Yang, S., Cheng, M., Wang, M., Yuan, Y., Yang, J., Gao, F., Xing, G., Wei, Z., Zhang, L., Yip, H. L., Liu, M., Shen, Q., Yin, L., Han, L., Liu, S. & 5 others, Wang, L., Luo, J., Tan, H., Jin, Z. & Ding, L., 1 Oct 2019, In : Science Bulletin. 64, 20, p. 1532-1539 8 p.

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12 Citations (Scopus)

Effect of exciton diffusion on the triplet-triplet annihilation rate in organic semiconductor host-guest systems

Coehoorn, R., Bobbert, P. A. & van Eersel, H., 7 Jan 2019, In : Physical Review B. 99, 2, 10 p., 024201.

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4 Citations (Scopus)
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Electrochemical water oxidation on WO3 surfaces: A density functional theory study

Kishore, R., Cao, X., Zhang, X. & Bieberle-Hütter, A., 1 Feb 2019, In : Catalysis Today. 321-322, p. 94-99 6 p.

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11 Citations (Scopus)
47 Downloads (Pure)

Enhanced incorporation of guanidinium in formamidinium-based perovskites for efficient and stable photovoltaics: the role of Cs and Br

Zhou, Y., Xue, H., Jia, Y. H., Brocks, G., Tao, S. & Zhao, N., 1 Nov 2019, In : Advanced Functional Materials. 29, 48, 9 p., 1905739.

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1 Citation (Scopus)

GeI 2 additive for high optoelectronic quality CsPbI 3 quantum dots and their application in photovoltaic devices

Liu, F., Ding, C., Zhang, Y., Kamisaka, T., Zhao, Q., Luther, J. M., Toyoda, T., Hayase, S., Minemoto, T., Yoshino, K., Zhang, B., Dai, S., Jiang, J., Tao, S. & Shen, Q., 12 Feb 2019, In : Chemistry of Materials. 31, 3, p. 798-807 10 p.

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21 Citations (Scopus)
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Monolayer nitrides doped with transition metals as efficient catalysts for water oxidation: the singular role of nickel

Liang, Q., Brocks, G., Zhang, X. & Bieberle-Hütter, A., 31 Oct 2019, In : Journal of Physical Chemistry C. 123, 43, p. 26289-26298 10 p.

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Recent progress on reliability assessment of large-eddy simulation

Geurts, B. J., Rouhi, A. & Piomelli, U., Nov 2019, In : Journal of Fluids and Structures. 91, 13 p., 102615.

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1 Citation (Scopus)

Short-channel vertical organic field-effect transistors with high on/off ratios

Dogan, T., Verbeek, R., Kronemeijer, A. J., Bobbert, P. A., Gelinck, G. H. & van der Wiel, W. G., 1 May 2019, In : Advanced Electronic Materials. 5, 5, 1900041.

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4 Citations (Scopus)

The importance of charge redistribution during electrochemical reactions: a density functional theory study of silver orthophosphate (Ag 3 PO 4)

Cao, X., Zhang, X., Sinha, R., Tao, S. & Bieberle-Hütter, A., 8 May 2019, In : Physical Chemistry Chemical Physics. 21, 18, p. 9531-9537 7 p.

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1 Citation (Scopus)

Tin, the enabler—hydrogen diffusion into ruthenium

Onwudinanti, C., Tranca, I., Morgan, T. & Tao, S., 21 Jan 2019, In : Nanomaterials. 9, 1, 18 p., 129.

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3 Citations (Scopus)
24 Downloads (Pure)
2018

An exponential time integrator for the incompressible navier–stokes equation

Kooij, G. L., Botchev, M. A. & Geurts, B. J., 1 Jan 2018, In : SIAM Journal on Scientific Computing. 40, 3, p. B684-B705

Research output: Contribution to journalArticleAcademicpeer-review

1 Citation (Scopus)

An ising-based simulator for capillary action in porous media

Nair, N. & Koelman, J. M. V. A., 1 Sep 2018, In : Transport in Porous Media. 124, 2, p. 413–437

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1 Citation (Scopus)
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Comparison of computational codes for direct numerical simulations of turbulent Rayleigh–Bénard convection

Kooij, G. L., Botchev, M. A., Frederix, E. M. A., Geurts, B. J., Horn, S., Lohse, D., van der Poel, E. P., Shishkina, O., Stevens, R. J. A. M. & Verzicco, R., 30 Apr 2018, In : Computers & Fluids. 166, p. 1-8 8 p.

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12 Citations (Scopus)

Cs 1-: X Rb x SnI 3 light harvesting semiconductors for perovskite photovoltaics

Marshall, K. P., Tao, S., Walker, M., Cook, D. S., Lloyd-Hughes, J., Varagnolo, S., Wijesekara, A., Walker, D., Walton, R. I. & Hatton, R. A., 1 Aug 2018, In : Materials Chemistry Frontiers. 2, 8, p. 1515-1522 8 p.

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14 Citations (Scopus)
63 Downloads (Pure)

Effect of triplet confinement on triplet–triplet annihilation in organic phosphorescent host–guest systems

Ligthart, A., de Vries, X., Zhang, L., Pols, M. C. W. M., Bobbert, P. A., van Eersel, H. & Coehoorn, R., 27 Dec 2018, In : Advanced Functional Materials. 28, 52, 10 p., 1804618.

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15 Citations (Scopus)
4 Downloads (Pure)

Efficient intraband hot carrier relaxation in the Perovskite semiconductor Cs1- xRbxSnI3 mediated by strong electron-phonon coupling

Monti, M., Tao, S. X., Staniforth, M., Crocker, A., Griffin, E., Wijesekara, A., Hatton, R. A. & Lloyd-Hughes, J., 13 Sep 2018, In : Journal of Physical Chemistry C. 122, 36, p. 20669-20675 7 p.

Research output: Contribution to journalArticleAcademicpeer-review

6 Citations (Scopus)

Highly scalable DNS solver for turbulent bubble-laden channel flow

Cifani, P., Kuerten, J. G. M. & Geurts, B. J., 30 Aug 2018, In : Computers & Fluids. 172, p. 67-83 17 p.

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4 Citations (Scopus)
82 Downloads (Pure)

Interstitial occupancy by extrinsic alkali cations in Perovskites and its impact on ion migration

Cao, J., Tao, S., Bobbert, P. A., Wong, C-P. & Zhao, N., 27 Jun 2018, In : Advanced Materials. 30, 26, 9 p., 1707350.

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34 Citations (Scopus)
47 Downloads (Pure)

Multiscale in modelling and validation for solar photovoltaics

Multisolar COST action, 23 Oct 2018, In : EPJ Photovoltaics. 9, 16 p., 10.

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2 Citations (Scopus)
17 Downloads (Pure)

Partially replacing Pb2+ by Mn2+ in hybrid metal halide perovskites: Structural and electronic properties

Bartesaghi, D., Ray, A., Jiang, J., Bouwer, R. K. M., Tao, S. & Savenije, T. J., 1 Dec 2018, In : APL Materials. 6, 12, 12 p., 121106.

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1 Citation (Scopus)
33 Downloads (Pure)

Permeability from 3D Porous media images: a fast two-step approach

Agarwal, U., Alpak, F. O. & Koelman, J. M. V. A., 1 Sep 2018, In : Transport in Porous Media. 124, 3, p. 1017-1033 17 p.

Research output: Contribution to journalArticleAcademicpeer-review

2 Citations (Scopus)

Recent developments in multiscale forcing for enhanced mixing

Geurts, B. J. & Cardoso de Souza, T., 15 Nov 2018, In : Computers & Fluids. 176, p. 353-365 13 p.

Research output: Contribution to journalArticleAcademicpeer-review

1 Citation (Scopus)

Reynolds-averaged modeling of turbulence damping near a large-scale interface in two-phase flow

Frederix, E. M. A., Mathur, A., Dovizio, D., Geurts, B. J. & Komen, E. M. J., 1 Jul 2018, In : Nuclear Engineering and Design. 333, p. 122-130 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

3 Citations (Scopus)

Simulating phase separation during spin coating of a polymer–fullerene blend: a joint computational and experimental investigation

Negi, V., Wodo, O., van Franeker, J. J., Janssen, R. A. J. & Bobbert, P. A., 26 Feb 2018, In : ACS Applied Energy Materials. 1, 2, p. 725-735 11 p.

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8 Citations (Scopus)
68 Downloads (Pure)

Simulation of size-dependent aerosol deposition in a realistic model of the upper human airways

Frederix, E. M. A., Kuczaj, A. K., Nordlund, M., Bělka, M., Lizal, F., Jedelský, J., Elcner, J., Jícha, M. & Geurts, B. J., 1 Jan 2018, In : Journal of Aerosol Science. 115, p. 29-45 17 p.

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11 Citations (Scopus)
39 Downloads (Pure)

Stabilizing lead-free all-inorganic tin halide Perovskites by ion exchange

Jiang, J., Onwudinanti, C., Hatton, R. A., Bobbert, P. A. & Tao, S., 9 Aug 2018, In : Journal of Physical Chemistry C. 122, 31, p. 17660-17667 8 p.

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11 Citations (Scopus)
304 Downloads (Pure)

Three-dimensional modeling of bipolar charge-carrier transport and recombination in disordered organic semiconductor devices at low voltages

Liu, F., van Eersel, H., Bobbert, P. A. & Coehoorn, R., 2 Nov 2018, In : Physical Review Applied. 10, 5, 14 p., 054007.

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1 Citation (Scopus)
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Unravelling light-induced degradation of layered perovskite crystals and design of efficient encapsulation for improved photostability

Fang, H. H., Yang, J., Tao, S. X., Adjokatse, S., Kamminga, M., Ye, J., Blake, G., Even, J. & Loi, M., 24 May 2018, In : Advanced Functional Materials. 28, 21, 11 p., 1800305.

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22 Citations (Scopus)
64 Downloads (Pure)
2017

A block Krylov subspace implementation of the time-parallel Paraexp method and its extension for nonlinear partial differential equations

Kooij, G. L., Botchev, M. A. & Geurts, B. J., 15 May 2017, In : Journal of Computational and Applied Mathematics. 316, p. 229-246 18 p.

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7 Citations (Scopus)

Accurate and efficient band gap predictions of metal halide perovskites using the DFT-1/2 method: GW accuracy with DFT expense

Tao, S., Cao, X. & Bobbert, P. A., 1 Dec 2017, In : Scientific Reports. 7, 1, 9 p., 14386.

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41 Citations (Scopus)
172 Downloads (Pure)

Application of the characteristics-based sectional method to spatially varying aerosol formation and transport

Frederix, E. M. A., Kuczaj, A. K., Nordlund, M., Veldman, A. E. P. & Geurts, B. J., 1 Feb 2017, In : Journal of Aerosol Science. 104, p. 123-140 18 p.

Research output: Contribution to journalArticleAcademicpeer-review

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4 Citations (Scopus)

Eulerian modeling of inertial and diffusional aerosol deposition in bent pipes

Frederix, E. M. A., Kuczaj, A. K., Nordlund, M., Veldman, A. E. P. & Geurts, B. J., 15 Dec 2017, In : Computers & Fluids. 159, p. 217-231 15 p.

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9 Citations (Scopus)
48 Downloads (Pure)

Renormalization group theory outperforms other approaches in statistical comparison between upscaling techniques for porous media

Hanasoge, S., Agarwal, U., Tandon, K. & Koelman, J. M. V. A., 25 Sep 2017, In : Physical Review E. 96, 3, p. 1-10 033313.

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4 Citations (Scopus)
40 Downloads (Pure)

The Tynode: a new vacuum electron multiplier

van der Graaf, H., Akhtar, H., Budko, N., Chan, H. W., Hagen, C. W., Hansson, C. C. T., Nützel, G., Pinto, S. D., Prodanović, V., Raftari, B., Sarro, P. M., Sinsheimer, J., Smedley, J., Tao, S. X., Theulings, A. M. M. G. & Vuik, K., 1 Mar 2017, In : Nuclear Instruments and Methods in Physics Research. Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. 847, p. 148-161 14 p.

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4 Citations (Scopus)
2 Downloads (Pure)
2016

Characteristics-based sectional modeling of aerosol nucleation and condensation

Frederix, E. M. A., Stanic, M., Kuczaj, A. K., Nordlund, M. & Geurts, B. J., 1 Dec 2016, In : Journal of Computational Physics. 326, p. 499-515 17 p.

Research output: Contribution to journalArticleAcademicpeer-review

6 Citations (Scopus)

Potential applications of electron emission membranes in medicine

Bilevych, Y., Brunner, S. E., Chan, H. W., Tao, S. X. & van der Graaf, H., 2016, In : Nuclear Instruments and Methods in Physics Research. Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. 809, 11, p. 171-174

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5 Citations (Scopus)
1 Downloads (Pure)

Secondary electron emission materials for transmission dynodes in novel photomultipliers : a review

Tao, S. X., Chan, H. W. & van der Graaf, H., 2016, In : Materials. 9, 12, 18 p., 1017.

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18 Citations (Scopus)
100 Downloads (Pure)