Research Output

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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1 Downloads (Pure)

Experimental study of the exciton dynamics in organic light-emitting diodes: towards a mechanistic description

Ligthart, A., 3 Mar 2020, Eindhoven: Technische Universiteit Eindhoven. 145 p.

Research output: ThesisPhd Thesis 1 (Research TU/e / Graduation TU/e)

Open Access
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37 Downloads (Pure)

Nanowires for thermoelectric energy conversion

Vakulov, D., 10 Mar 2020, Eindhoven: Technische Universiteit Eindhoven. 162 p.

Research output: ThesisPhd Thesis 1 (Research TU/e / Graduation TU/e)

Open Access
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17 Downloads (Pure)

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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1 Citation (Scopus)
4 Downloads (Pure)

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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12 Citations (Scopus)
42 Downloads (Pure)

Accuracy control for large-eddy simulation of turbulent mixing: integral length-scale approach

Geurts, B. J., Rouhi, A. & Piomelli, U., 1 Jan 2019. 4 p.

Research output: Contribution to conferencePaper

Bits, bytes en batterijen

Koelman, J. M. V. A., 8 Feb 2019, Eindhoven: Technische Universiteit Eindhoven.

Research output: Book/ReportInaugural speechAcademic

Open Access
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115 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.

Research output: Contribution to journalArticleAcademicpeer-review

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.

Research output: Contribution to journalArticleAcademicpeer-review

64 Citations (Scopus)
1 Downloads (Pure)

Charge and exciton transport in organic semiconductors: the role of molecular vibrations

de Vries, X., 18 Sep 2019, Eindhoven: Technische Universiteit Eindhoven. 155 p.

Research output: ThesisPhd Thesis 1 (Research TU/e / Graduation TU/e)

Open Access
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145 Downloads (Pure)

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.

Research output: Contribution to journalArticleAcademicpeer-review

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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4 Citations (Scopus)
42 Downloads (Pure)

Efficient intraband hot carrier relaxation in Sn and Pb perovskite semiconductors mediated by strong electron-phonon coupling

Monti, M., Woolley, J. M., Staniforth, M., Wijesekara, A., Tao, S. X., Bandara, R. M. I., Jayawardena, I., Crocker, A., Griffin, E., Silva, S. R. P., Hatton, R. A. & Lloyd-Hughes, J., 27 Feb 2019, Ultrafast Phenomena and Nanophotonics XXIII. Betz, M. & Elezzabi, A. Y. (eds.). SPIE, 8 p. 109160M. (Proceedings of SPIE; vol. 10916).

Research output: Chapter in Book/Report/Conference proceedingConference contributionAcademicpeer-review

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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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.

Research output: Contribution to journalArticleAcademicpeer-review

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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21 Citations (Scopus)
1 Downloads (Pure)

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.

Research output: Contribution to journalArticleAcademicpeer-review

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.

Research output: Contribution to journalArticleAcademicpeer-review

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.

Research output: Contribution to journalArticleAcademicpeer-review

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.

Research output: Contribution to journalArticleAcademicpeer-review

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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3 Citations (Scopus)
24 Downloads (Pure)
2018

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

Tao, S. X., Cao, X. & Bobbert, P. A., 2018, Proceedings of International Conference on Perovskite Thin Film Photovoltaics, Photonics and Optoelectronics (ABXPV18PEROPTO). p. 1-9

Research output: Chapter in Book/Report/Conference proceedingConference contributionAcademic

Open Access
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64 Downloads (Pure)

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

Research output: Contribution to journalArticleAcademicpeer-review

1 Citation (Scopus)
1 Downloads (Pure)

Atomistic view of interstitial occupation of small alkali cations in Perovskites and its impact on ion migration

Tao, S. X., Cao, J., Zhao, N. & Bobbert, P. A., 2018, Proceedings of International Conference on Perovskite Thin Film Photovoltaics, Photonics and Optoelectronics (ABXPV18PEROPTO).

Research output: Chapter in Book/Report/Conference proceedingConference contributionAcademic

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.

Research output: Contribution to journalArticleAcademicpeer-review

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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14 Citations (Scopus)
63 Downloads (Pure)

DNS of biomass pyrolysis and combustion in co-firing power plants

Awasthi, A., 15 Jan 2018, Eindhoven: Technische Universiteit Eindhoven. 121 p.

Research output: ThesisPhd Thesis 1 (Research TU/e / Graduation TU/e)

Open Access
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203 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.

Research output: Contribution to journalArticleAcademicpeer-review

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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4 Citations (Scopus)
82 Downloads (Pure)

Influence of ion-exchange on lead-free inorganic Sn halide Perovskites

Jiang, J., Bobbert, P. A. & Tao, S. X., 2018, Proceedings of International Conference on Perovskite Thin Film Photovoltaics, Photonics and Optoelectronics (ABXPV18PEROPTO) 2018.

Research output: Chapter in Book/Report/Conference proceedingConference contributionAcademic

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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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)

Preface

Salvetti, M. V., Armenio, V., Fröhlich, J., Geurts, B. J. & Kuerten, H., 1 Jan 2018, Direct and Large-Eddy Simulation XI. Salvetti, M. V., Armenio, V., Fröhlich, J., Geurts, B. J. & Kuerten, H. (eds.). Cham: Springer, p. vii-viii 2 p. (ERCOFTAC Series; vol. 25).

Research output: Chapter in Book/Report/Conference proceedingChapterAcademicpeer-review

Probing the occupied and unoccupied density of states of hybrid Perovskites

Olthof, S., Schmidt, I., Tao, S. X. & Meerholz, K., 2018, MRS Spring Meeting & Exhibit: Symposia EN15 : Novel Materials of Perovskite Semiconductors . EN 15.06.07

Research output: Chapter in Book/Report/Conference proceedingConference contributionAcademic

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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11 Citations (Scopus)
39 Downloads (Pure)

Special issue: direct and large Eddy simulation

Salvetti, M. V., Fröhlich, J., Geurts, B. J. & Kuerten, H., 1 Sep 2018, In : Flow, Turbulence and Combustion. 101, 2, p. 269-270 2 p.

Research output: Contribution to journalEditorialAcademicpeer-review

Open Access

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

Jiang, J., Onwudinanti, C., Hatton, R., Bobbert, P. A. & Tao, S. X., 2018, Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV18).

Research output: Chapter in Book/Report/Conference proceedingConference contributionAcademic

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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1 Citation (Scopus)
37 Downloads (Pure)

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
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22 Citations (Scopus)
64 Downloads (Pure)