Research Output 1992 2019

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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, 10 p., 2560

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Tin
perovskites
Optoelectronic devices
Electron energy levels
halides

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
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 othersBrocks, G., Chen, Q. & Zhou, H., 1 May 2019, In : Nature Energy. 4, 5, p. 408-415 10 p.

Research output: Contribution to journalArticleAcademicpeer-review

Fluorides
Anions
Cations
Negative ions
Positive ions

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 othersWang, L., Luo, J., Tan, H., Jin, Z. & Ding, L., 1 Jan 2019, In : Science Bulletin.

Research output: Contribution to journalArticleAcademicpeer-review

Solar cells
Conversion efficiency
Cesium
Processing
Costs
1 Citation (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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Semiconducting organic compounds
organic semiconductors
Excitons
excitons
radii
3 Citations (Scopus)

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

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Density functional theory
Oxygen
Oxidation
Water
Molybdenum
5 Citations (Scopus)

Gel2 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

Research output: Contribution to journalArticleAcademicpeer-review

Optoelectronic devices
Semiconductor quantum dots
Quantum yield
Iodine
Photoluminescence

Recent progress on reliability assessment of large-eddy simulation

Geurts, B. J., Rouhi, A. & Piomelli, U., 3 May 2019, In : Journal of Fluids and Structures.

Research output: Contribution to journalArticleAcademicpeer-review

Large eddy simulation
Turbulent flow
Direct numerical simulation
Channel flow
Parameterization

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

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., 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

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

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

Exponential time
Incompressible Navier-Stokes Equations
Time Integration
Navier Stokes equations
Exponential Integrators
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

Porous materials
Simulators
Mercury
Drainage
Fluids
7 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
11 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
File
Perovskite
Semiconductor materials
Energy gap
Dimethylformamide
Photoluminescence spectroscopy
6 Citations (Scopus)

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)
5 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)

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
22 Citations (Scopus)

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)

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

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
1 Citation (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

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
2 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
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
File
fullerenes
coating
polymers
drying
evaporation
5 Citations (Scopus)

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
6 Citations (Scopus)

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
Open Access
File
organic semiconductors
semiconductor devices
low voltage
charge carriers
simulation
13 Citations (Scopus)

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
33 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

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Metal halides
Discrete Fourier transforms
Electronic structure
Energy gap
Electronic properties
2 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
5 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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Aerosols
Pipe
Reynolds number
Geometry
Refining
4 Citations (Scopus)

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

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Upscaling
group theory
Group Theory
Renormalization Group
Porous Media
4 Citations (Scopus)

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.

Research output: Contribution to journalArticleAcademicpeer-review

dynodes
Electron multipliers
photomultiplier tubes
Vacuum
vacuum
2016
5 Citations (Scopus)

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

Aerosols
Condensation
aerosols
Nucleation
condensation
5 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

Research output: Contribution to journalArticleAcademicpeer-review

Elementary particles
dynodes
elementary particles
Electron emission
Bioelectric potentials
13 Citations (Scopus)

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

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Electron emission
Photomultipliers
Electrons
Secondary emission
Atomic layer deposition