Research Output 1992 2020

2019
6 Citations (Scopus)
35 Downloads (Pure)

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
File
Tin
perovskites
Optoelectronic devices
Electron energy levels
halides

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

Geurts, B. J., Rouhi, A. & Piomelli, U., 2 Aug 2019. 4 p.

Research output: Contribution to conferencePaperAcademic

turbulent mixing
large eddy simulation
Large eddy simulation
Direct numerical simulation
Navier-Stokes equations
106 Downloads (Pure)

Bits, bytes en batterijen

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

Research output: Book/ReportInaugural speechAcademic

Open Access
File
1 Citation (Scopus)

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

Heterojunctions
Metals
Water
Electrodes
Hydrogen
43 Citations (Scopus)
1 Downloads (Pure)

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

Fluorides
Anions
Cations
Negative ions
Positive ions
115 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
File
5 Citations (Scopus)

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

Open Access
Solar cells
Conversion efficiency
Cesium
Processing
Costs
3 Citations (Scopus)
32 Downloads (Pure)

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
File
Semiconducting organic compounds
organic semiconductors
Excitons
excitons
radii

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

Perovskite
Hot carriers
Phonon
Photoconductivity
Semiconductors
9 Citations (Scopus)
36 Downloads (Pure)

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
File
Density functional theory
Oxygen
Oxidation
Water
Molybdenum

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

Bromine
Cesium
Guanidine
perovskites
bromine
17 Citations (Scopus)
1 Downloads (Pure)

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

Optoelectronic devices
Semiconductor quantum dots
Quantum yield
Iodine
Photoluminescence

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

Nickel
Nitrides
Transition metals
nitrides
Monolayers
1 Citation (Scopus)

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

Large eddy simulation
Turbulent flow
Direct numerical simulation
Channel flow
Parameterization
2 Citations (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

Organic field effect transistors
Current density
Semiconducting polymers
Silicon
Electric space charge
1 Citation (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

Silver
Density functional theory
Phosphates
silver
density functional theory
1 Citation (Scopus)
19 Downloads (Pure)

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
File
Ruthenium
Tin
Hydrogen
Atoms
Extreme ultraviolet lithography
2018
58 Downloads (Pure)

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
File
1 Citation (Scopus)

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

Incompressible Navier-Stokes
Exponential time
Time Integration
Navier-Stokes Equations
Exponential Integrators
1 Citation (Scopus)
1 Downloads (Pure)

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

Porous materials
Simulators
Mercury
Drainage
Geometry

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

Alkalies
Cations
Ions
Monovalent Cations
Density functional theory
9 Citations (Scopus)

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

Direct numerical simulation
Nusselt number
Containers
Costs
Temperature distribution
12 Citations (Scopus)
53 Downloads (Pure)

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
File
Perovskite
Semiconductor materials
Energy gap
Dimethylformamide
Photoluminescence spectroscopy
198 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
File
11 Citations (Scopus)
3 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

Excitons
excitons
Molecules
molecules
Organic light emitting diodes (OLED)
6 Citations (Scopus)

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

Hot carriers
Photoconductivity
Perovskite
Semiconductor materials
Electron-phonon interactions
2 Citations (Scopus)
60 Downloads (Pure)

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
File
Direct numerical simulation
Channel flow
Volume fraction
Gases
Numerical methods

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

Ion exchange
Anions
Cations
Substitution reactions
Solar absorbers
29 Citations (Scopus)
35 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., 2018, In : Advanced Materials. 30, 9 p., 1707350.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Alkalies
Perovskite
Cations
Positive ions
Ions
2 Citations (Scopus)
11 Downloads (Pure)

Multiscale in modelling and validation for solar photovoltaics

Multisolar COST action, 1 Jan 2018, In : EPJ Photovoltaics. 9, 16 p., 10.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Solar cells
solar cells
Energy conversion
Conversion efficiency
renewable energy
1 Citation (Scopus)
26 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
File
Metal halides
Charge carriers
Electronic properties
Structural properties
Carrier mobility
2 Citations (Scopus)

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

Fast Fourier transforms
Porous materials
Relaxation time
Rocks
Computerized tomography

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

Electron affinity
Halogens
Tin
Ionization potential
Photoelectron spectroscopy

Recent developments in multiscale forcing for enhanced mixing

Geurts, B. J. & Cardoso de Souza, T., 1 Nov 2018, In : Computers & Fluids. 176, p. 353-365

Research output: Contribution to journalArticleAcademicpeer-review

Orifices
Fractals
Pipe
Incompressible flow
Direct numerical simulation
3 Citations (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

two phase flow
Two phase flow
damping
Turbulence
Damping
4 Citations (Scopus)
61 Downloads (Pure)

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
File
Spin coating
Phase separation
Drying
Evaporation
Linear stability analysis
7 Citations (Scopus)
36 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
File
Aerosols
droplet
aerosol
simulation
deposition velocity

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

Tin
Ion exchange
Solar cells
Substitution reactions
Air
9 Citations (Scopus)
276 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., 2018, In : Journal of Physical Chemistry C. 122, 31, p. 17660-17667

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Tin
perovskites
halides
tin
Ion exchange
28 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
File
organic semiconductors
semiconductor devices
low voltage
charge carriers
simulation
20 Citations (Scopus)
58 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., 2018, In : Advanced Functional Materials. 28, 21, 11 p., 1800305.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Encapsulation
Perovskite
perovskites
degradation
Degradation
2017
7 Citations (Scopus)

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.

Research output: Contribution to journalArticleAcademicpeer-review

Krylov Subspace
Parallel Methods
Time Integration
Burgers Equation
Nonlinear Partial Differential Equations
32 Downloads (Pure)

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

Tao, S. X., Cao, X. & Bobbert, P. A., 2017, Computational Sciences for Future Energy Conference 2017. p. 1-9

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

Open Access
File
10 Downloads (Pure)

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

Tao, S. X., Cao, X. & Bobbert, P. A., 2017, International Conference of the Next Generation III PV Materials 2017. p. 1-9

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

Open Access
File
13 Downloads (Pure)

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

Tao, S. X., Cao, X. & Bobbert, P. A., 2017, Dutch Hybrid Perovskites Workshop 2017, 6 July 2017, Groningen, The Netherlands. p. 1-9

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

Open Access
File
37 Citations (Scopus)
162 Downloads (Pure)

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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Metals
Costs and Cost Analysis
Genetic Recombination
Ions
perovskite
3 Citations (Scopus)

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

Open Access
aerosol formation
Aerosols
droplet
aerosol
cavity