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Research Output 2006 2019

  • 581 Citations
  • 33 Article
  • 13 Conference contribution
  • 1 Phd Thesis 1 (Research TU/e / Graduation TU/e)
2019
3 Citations (Scopus)
32 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
31 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
3 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

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

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
13 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

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)
16 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
53 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

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
12 Citations (Scopus)
47 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
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

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
27 Citations (Scopus)
29 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)
10 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)
25 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

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
9 Citations (Scopus)
257 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

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
18 Citations (Scopus)
57 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
27 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
8 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
11 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
36 Citations (Scopus)
154 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

The application of the DFT-1/2 method for accurate band gap prediction of group III/V and hybrid perovskites semiconductors

Tao, S. X., 2017, Multiscale Solar Workshop, 7th-9th April, 2017, Belgrade, Serbia.

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

4 Citations (Scopus)
2 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.

Research output: Contribution to journalArticleAcademicpeer-review

dynodes
Electron multipliers
photomultiplier tubes
Vacuum
vacuum

Towards high-efficiency multi-junction nanowire solar cells : a combination of DFT and Monte Carlo modeling

Tao, S. X., 2017, Photovoltaic Technology Conference (PVTC) 2017, 26-28 April 2017, Marseille, France.

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

2016
5 Citations (Scopus)
1 Downloads (Pure)

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
16 Citations (Scopus)
87 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.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Electron emission
Photomultipliers
Electrons
Secondary emission
Atomic layer deposition
2015
4 Citations (Scopus)

DFT study of electron affinity of alkali metal termination on clean and oxygenated β-Si3N4

Tao, S. X., Theulings, A. M. M. G., Smedley, J. & van der Graaf, H., 1 Sep 2015, In : Diamond and Related Materials. 58, September 2015, p. 214-220 7 p.

Research output: Contribution to journalArticleAcademicpeer-review

Alkali Metals
Electron affinity
Alkali metals
electron affinity
alkali metals
12 Citations (Scopus)

DFT study of electron affinity of hydrogen terminated β-Si3N4

Tao, S. X., Theulings, A. M. M. G., Smedley, J. & van der Graaf, H., 2015, In : Diamond and Related Materials. 53, p. 52-57

Research output: Contribution to journalArticleAcademicpeer-review

Electron affinity
Discrete Fourier transforms
Hydrogen
Electron emission
Positrons
5 Citations (Scopus)
11 Downloads (Pure)

Optical properties of silicon-rich silicon nitride (SixNyHz) from first principles

Tao, S. X., Theulings, A. M. M. G., Prodanović, V., Smedley, J. & van der Graaf, H., 2015, In : Computation. 3, p. 657-669 13 p.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Silicon Nitride
First-principles
Loss Function
Energy Function
Silicon nitride
2 Citations (Scopus)
25 Downloads (Pure)

Optimization of silicon-rich silicon nitride films for electron multiplication in timed photon counters

Prodanovic, V., Chan, H. W., Smedley, J., Theulings, A., Tao, S. X., van der Graaf, H. & Sarro, P. M., 2015, In : Procedia Engineering. 120, p. 1111-1114

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
2014
1 Citation (Scopus)

Electron emission processes in photocathodes and dynodes

Smedley, J., Schubert, S. G., Xie, J., Ruiz-Osës, M., Liang, X., Muller, E. M., Padmore, H. A., Wong, J., Hulbert, S., Theulings, A. M. M. G., Tao, S. X. & van der Graaf, H., 2014, 2014 IEEE Nuclear Science Symposium and Medical Imaging Conference (NSS/MIC), 8-15 November 2014, Seattle, Washington. Piscataway: Institute of Electrical and Electronics Engineers, p. 1-4 4 p.

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

dynodes
photocathodes
electron emission
quantum efficiency
photoelectric emission
2012

TEM guided microstructural design of MgH 2 powders and thin film alloys with room temperature volumetric hydrogen cycling ability

Mitlin, D., Kalisvaart, P., Danaie, M., Tao, S. X., Zahiri, B. & Fritzsche, H., 2012, AIP Conference Proceedings, Berlin, Germany.

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

2011
9 Citations (Scopus)

Dehydrogenation properties of epitaxial (100) MgH2/TiH2 multi-layers : a DFT study

Tao, S., Notten, P. H. L., Santen, van, R. A. & Jansen, A. P. J., 2011, In : Computational Materials Science. 50, 10, p. 2960-2966 7 p.

Research output: Contribution to journalArticleAcademicpeer-review

Dehydrogenation
dehydrogenation
Desorption
Discrete Fourier transforms
Hydrogen
14 Citations (Scopus)

DFT studies of hydrogen storage properties of Mg0.75Ti0.25

Tao, S., Notten, P. H. L., Santen, van, R. A. & Jansen, A. P. J., 2011, In : Journal of Alloys and Compounds. 509, 2, p. 210-216 17 p.

Research output: Contribution to journalArticleAcademicpeer-review

Hydrogen storage
Discrete Fourier transforms
Hydrogen
Hydrides
Hydrogenation
18 Citations (Scopus)
79 Downloads (Pure)

First-principles predictions of potential hydrogen storage materials : nanosized Ti(core)/Mg(shell) hydrides

Tao, S., Notten, P. H. L., Santen, van, R. A. & Jansen, A. P. J., 2011, In : Physical Review B. 83, p. 195403-1/8 8 p., 195403.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Hydrogen storage
Hydrides
hydrides
Desorption
desorption
27 Citations (Scopus)

First principle study of hydrogen diffusion in equilibrium rutile, rutile with deformation twins and fluorite polymorph of Mg hydride

Tao, S. X., Kalisvaart, W. P., Danaie, M., Midlin, D., Notten, P. H. L., Santen, van, R. A. & Jansen, A. P. J., 2011, In : International Journal of Hydrogen Energy. 36, 18, p. 11802-11809 8 p.

Research output: Contribution to journalArticleAcademicpeer-review

Fluorspar
fluorite
Polymorphism
Hydrides
rutile
1741 Downloads (Pure)

Hydrogen storage in Mg transition metal alloys : a DFT study

Tao, S., 2011, Eindhoven: Technische Universiteit Eindhoven. 136 p.

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

Open Access
File
2010
49 Citations (Scopus)

Analysis of deformation twins and the partially dehydrogenated microstructure in nanocrystalline magnesium hydride (MgH2) powder

Danaie, M., Tao, S. X., Mitlin, D. & Kalisvaart, W. P., 2010, In : Acta Materialia. 58, p. 3162-3172

Research output: Contribution to journalArticleAcademicpeer-review

Hydrides
Powders
Magnesium
Microstructure
Transmission electron microscopy
12 Citations (Scopus)
50 Downloads (Pure)

First-principles analysis of the C-N bond scission of methylamine on Mo-based model catalysts

Lv, C. Q., Li, J., Tao, S. X., Ling, K. C. & Wang, G. C., 2010, In : Journal of Chemical Physics. 132, 4, 044111.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Density functional theory
cleavage
Carbon
methylidyne
catalysts
32 Citations (Scopus)
48 Downloads (Pure)

Fluorite transition metal hydride induced destabilization of the MgH2 system in MgH2/TMH2 multilayers (TM=Sc, Ti, V, Cr, Y, Zr, Nb, La, Hf)

Tao, S-X., Notten, P. H. L., Santen, van, R. A. & Jansen, A. P. J., 2010, In : Physical Review B. 82, 12, p. 125448-1/5 5 p., 125448.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
metal hydrides
Fluorspar
destabilization
fluorite
Hydrides
2009
23 Citations (Scopus)
79 Downloads (Pure)

Density functional theory studies of the hydrogenation properties of Mg and Ti

Tao, S., Notten, P. H. L., Santen, van, R. A. & Jansen, A. P. J., 2009, In : Physical Review B. 79, 14, p. 144121-1/7 7 p., 144121.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
Hydrogenation
hydrogenation
Density functional theory
Hydrogen
hydrides
2008
34 Citations (Scopus)

Cubic MgH2 stabilized by alloying with transition metals : a density functional theory study

Pauw, B. R., Kalisvaart, W. P., Tao, S. X., Koper, M. T. M., Jansen, A. P. J. & Notten, P. H. L., 2008, In : Acta Materialia. 56, 13, p. 2948-2954

Research output: Contribution to journalArticleAcademicpeer-review

Alloying
Hydrides
Transition metals
Density functional theory
Fluorspar
2006
131 Citations (Scopus)

A systematic theoretical study of water dissociation on clean and oxygen-preadsorbed transition metals

Wang, G. C., Tao, S. X. & Bu, X. H., 2006, In : Journal of Catalysis. 244, p. 10-16

Research output: Contribution to journalArticleAcademicpeer-review

metal surfaces
Transition metals
transition metals
dissociation
Oxygen
21 Citations (Scopus)

Effect of pre-covered oxygen on the dehydrogenation reactions over copper surface : A DFT Study

Tao, S. X., Wang, G. C. & Bu, X. H., 2006, In : Journal of Physical Chemistry B. 110, 26045.

Research output: Contribution to journalArticleAcademicpeer-review