Publications – Institut für Photonik – Leibniz University Hannover

Stochastic full-range multiscale modeling of thermal conductivity of Polymeric carbon nanotubes composites: A machine learning approach

Liu, B., Vu-Bac, N., Fu, X., Zhuang, X. & Rabczuk, T., 1 Jun 2022, In: Composite structures. 289, 1 p., 115393.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	115393
Number of pages	1
Journal	Composite structures
Volume	289
Early online date	12 Mar 2022
DOIs	https://doi.org/10.1016/j.compstruct.2022.115393
Publication status	Published - 1 Jun 2022

Stochastic integrated machine learning based multiscale approach for the prediction of the thermal conductivity in carbon nanotube reinforced polymeric composites

Liu, B., Vu-Bac, N., Zhuang, X., Fu, X. & Rabczuk, T., 16 Jun 2022, In: Composites science and technology. 224, 109425.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	109425
Journal	Composites science and technology
Volume	224
Early online date	18 Apr 2022
DOIs	https://doi.org/10.1016/j.compscitech.2022.109425
Publication status	Published - 16 Jun 2022

Mechanical, optical, and thermoelectric properties of semiconducting ZnIn2X4 (X= S, Se, Te) monolayers

Mohebpour, M. A., Mortazavi, B., Rabczuk, T., Zhuang, X., Shapeev, A. V. & Tagani, M. B., 27 Apr 2022, In: Physical Review B. 105, 13, 134108.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	134108
Journal	Physical Review B
Volume	105
Issue number	13
DOIs	https://doi.org/10.1103/PhysRevB.105.134108
Publication status	Published - 27 Apr 2022

Optical and thermoelectric properties of non-Janus CuI and AgI, and Janus Cu2BrI and Ag2BrI monolayers by many-body perturbation theory

Mohebpour, M. A., Mortazavi, B., Zhuang, X. & Tagani, M. B., 7 Sept 2022, In: Physical Review B. 106, 12, 125405.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	125405
Journal	Physical Review B
Volume	106
Issue number	12
DOIs	https://doi.org/10.48550/arXiv.2204.10056 https://doi.org/10.1103/PhysRevB.106.125405
Publication status	Published - 7 Sept 2022

Telecom-compatible, affordable and scalable quantum technologies

Montaut, N., Roztocki, P., Chemnitz, M., Sciara, S., MacLellan, B., Fischer, B., Jestin, Y., Cortes, L. R., Zhang, Y., Azana, J., Morandotti, R., Chu, S. T., Moss, D. J., Reimer, C., Kues, M., Little, B. E., Yu, H., Wang, Z., Caspani, L., Wetzel, B., Munro, W. J., Loranger, S., Kashyap, R. & Cino, A., 2022, 2022 IEEE Photonics Conference, IPC 2022 - Proceedings. Institute of Electrical and Electronics Engineers Inc., (IEEE Photonics Conference, IPC 2022 - Proceedings).

Research output: Chapter in book/report/conference proceeding › Conference contribution › Research › peer review

Original language	English
Title of host publication	2022 IEEE Photonics Conference, IPC 2022 - Proceedings
Publisher	Institute of Electrical and Electronics Engineers Inc.
ISBN (Electronic)	9781665434874
ISBN (Print)	978-1-6654-3488-1
DOIs	https://doi.org/10.1109/IPC53466.2022.9975549
Publication status	Published - 2022
Event	2022 IEEE Photonics Conference, IPC 2022 - Vancouver, Canada Duration: 13 Nov 2022 → 17 Nov 2022

Publication series

Name	IEEE Photonics Conference, IPC 2022 - Proceedings
ISSN (Print)	2374-0140
ISSN (Electronic)	2575-274X

Conference

Conference	2022 IEEE Photonics Conference, IPC 2022
Country/Territory	Canada
City	Vancouver
Period	13 Nov 2022 → 17 Nov 2022

A combined first-principles and machine-learning investigation on the stability, electronic, optical, and mechanical properties of novel C6N7-based nanoporous carbon nitrides

Mortazavi, B., Shojaei, F., Shapeev, A. V. & Zhuang, X., Jul 2022, In: CARBON. 194, p. 230-239 10 p.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Pages (from-to)	230-239
Number of pages	10
Journal	CARBON
Volume	194
Early online date	31 Mar 2022
DOIs	https://doi.org/10.1016/j.carbon.2022.03.068
Publication status	Published - Jul 2022

A first-principles and machine-learning investigation on the electronic, photocatalytic, mechanical and heat conduction properties of nanoporous C5N monolayers

Mortazavi, B., Shahrokhi, M., Shojaei, F., Rabczuk, T., Zhuang, X. & Shapeev, A. V., 7 Mar 2022, In: NANOSCALE. 14, 11, p. 4324-4333 10 p.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Pages (from-to)	4324-4333
Number of pages	10
Journal	NANOSCALE
Volume	14
Issue number	11
DOIs	https://doi.org/10.1039/d1nr06449e
Publication status	Published - 7 Mar 2022

A first-principles study on the physical properties of two-dimensional Nb₃Cl₈, Nb₃Br₈ and Nb₃I₈

Mortazavi, B., Zhuang, X. & Rabczuk, T., 29 Sept 2022, In: Applied Physics A: Materials Science and Processing. 128, 10, 934.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	934
Journal	Applied Physics A: Materials Science and Processing
Volume	128
Issue number	10
DOIs	https://doi.org/10.1007/s00339-022-06011-z
Publication status	Published - 29 Sept 2022

A machine-learning-based investigation on the mechanical/failure response and thermal conductivity of semiconducting BC₂N monolayers

Mortazavi, B., Novikov, I. S. & Shapeev, A. V., Mar 2022, In: CARBON. 188, p. 431-441 11 p.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Pages (from-to)	431-441
Number of pages	11
Journal	CARBON
Volume	188
Early online date	8 Dec 2021
DOIs	https://doi.org/10.1016/j.carbon.2021.12.039
Publication status	Published - Mar 2022

Anisotropic and outstanding mechanical, thermal conduction, optical, and piezoelectric responses in a novel semiconducting BCN monolayer confirmed by first-principles and machine learning

Mortazavi, B., Shojaei, F., Yagmurcukardes, M., Shapeev, A. V. & Zhuang, X., Nov 2022, In: CARBON. 200, p. 500-509 10 p.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Pages (from-to)	500-509
Number of pages	10
Journal	CARBON
Volume	200
Early online date	2 Sept 2022
DOIs	https://doi.org/10.1016/j.carbon.2022.08.077
Publication status	Published - Nov 2022

Anisotropic mechanical response, high negative thermal expansion, and outstanding dynamical stability of biphenylene monolayer revealed by machine-learning interatomic potentials

Mortazavi, B. & Shapeev, A. V., Mar 2022, In: FlatChem. 32, 100347.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	100347
Journal	FlatChem
Volume	32
Early online date	17 Feb 2022
DOIs	https://doi.org/10.1016/j.flatc.2022.100347
Publication status	Published - Mar 2022

A Theoretical Investigation on the Physical Properties of Zirconium Trichalcogenides, ZrS₃, ZrSe₃ and ZrTe₃ Monolayers

Mortazavi, B., Shojaei, F., Yagmurcukardes, M., Makaremi, M. & Zhuang, X., 28 Jul 2022, In: ENERGIES. 15, 15, 5479.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	5479
Journal	ENERGIES
Volume	15
Issue number	15
DOIs	https://doi.org/10.3390/en15155479
Publication status	Published - 28 Jul 2022

Comment on "a novel two-dimensional boron-carbon-nitride (BCN) monolayer: A first-principles insight" [J. Appl. Phys. 130, 114301 (2021)]

Mortazavi, B., Shojaei, F. & Neek-Amal, M., 7 Jun 2022, In: Journal of applied physics. 131, 21, 216101.

Research output: Contribution to journal › Commentary in journal › Research › peer review

Original language	English
Article number	216101
Journal	Journal of applied physics
Volume	131
Issue number	21
Early online date	3 Jun 2022
DOIs	https://doi.org/10.48550/arXiv.2203.16496 https://doi.org/10.1063/5.0078754
Publication status	Published - 7 Jun 2022

Comment on “Erratum: ‘Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations’ [Appl. Phys. Lett. 119, 142102 (2021)]”: [Appl. Phys. Lett. 120, 189901 (2022)]

Mortazavi, B., Shojaei, F. & Shahrokhi, M., 1 Aug 2022, In: Applied physics letters. 121, 5, 056101.

Research output: Contribution to journal › Commentary in journal › Research › peer review

Original language	English
Article number	056101
Journal	Applied physics letters
Volume	121
Issue number	5
DOIs	https://doi.org/10.1063/5.0098022
Publication status	Published - 1 Aug 2022

Comment on 'MoSi₂N₄single-layer: A novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties'

Mortazavi, B. & Chowdhury, S., 10 Feb 2022, In: Journal of Physics D: Applied Physics. 55, 6, 068001.

Research output: Contribution to journal › Commentary in journal › Research › peer review

Original language	English
Article number	068001
Journal	Journal of Physics D: Applied Physics
Volume	55
Issue number	6
Early online date	29 Oct 2021
DOIs	https://doi.org/10.1088/1361-6463/ac316f
Publication status	Published - 10 Feb 2022

Comment on 'Two-dimensional carbon nitride C₆N nanosheet with egg-comb-like structure and electronic properties of a semimetal [2021, Nanotechnology 32,215702]'

Mortazavi, B. & Neek-Amal, M., 2 Jul 2022, In: NANOTECHNOLOGY. 33, 27, 278001.

Research output: Contribution to journal › Commentary in journal › Research › peer review

Original language	English
Article number	278001
Journal	NANOTECHNOLOGY
Volume	33
Issue number	27
Early online date	12 Apr 2022
DOIs	https://doi.org/10.1088/1361-6528/ac62b0
Publication status	Published - 2 Jul 2022

Electronic, Optical, Mechanical and Li-Ion Storage Properties of Novel Benzotrithiophene-Based Graphdiyne Monolayers Explored by First Principles and Machine Learning

Mortazavi, B., Shojaei, F., Shahrokhi, M., Rabczuk, T., Shapeev, A. V. & Zhuang, X., 19 Oct 2022, In: Batteries. 8, 10, 194.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	194
Journal	Batteries
Volume	8
Issue number	10
DOIs	https://doi.org/10.3390/batteries8100194
Publication status	Published - 19 Oct 2022

Exploring thermal expansion of carbon-based nanosheets by machine-learning interatomic potentials

Mortazavi, B., Rajabpour, A., Zhuang, XY., Rabczuk, T. & Shapeev, AV., Jan 2022, In: CARBON. 186, p. 501-508 8 p.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Pages (from-to)	501-508
Number of pages	8
Journal	CARBON
Volume	186
Early online date	19 Oct 2021
DOIs	https://doi.org/10.1016/j.carbon.2021.10.059
Publication status	Published - Jan 2022

Highly anisotropic mechanical and optical properties of 2D NbOX2 (X= Cl, Br, I) revealed by first-principle

Mortazavi, B., Shahrokhi, M., Javvaji, B., Shapeev, A. V. & Zhuang, X., 12 Apr 2022, In: NANOTECHNOLOGY. 33, 27, 275701.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	275701
Journal	NANOTECHNOLOGY
Volume	33
Issue number	27
DOIs	https://doi.org/10.1088/1361-6528/ac622f
Publication status	Published - 12 Apr 2022

Low and Anisotropic Tensile Strength and Thermal Conductivity in the Single-Layer Fullerene Network Predicted by Machine-Learning Interatomic Potentials

Mortazavi, B. & Zhuang, X., 12 Aug 2022, In: COATINGS. 12, 8, 1171.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	1171
Journal	COATINGS
Volume	12
Issue number	8
DOIs	https://doi.org/10.3390/coatings12081171
Publication status	Published - 12 Aug 2022

Mechanical, thermal transport, electronic and photocatalytic properties of penta-PdPS, -PdPSe and -PdPTe monolayers explored by first-principles calculations

Mortazavi, B., Shahrokhi, M., Zhuang, XY., Rabczuk, T. & Shapeev, AV., 7 Jan 2022, In: Journal of Materials Chemistry C. 10, 1, p. 329-336 8 p.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Pages (from-to)	329-336
Number of pages	8
Journal	Journal of Materials Chemistry C
Volume	10
Issue number	1
Early online date	6 Dec 2021
DOIs	https://doi.org/10.1039/d1tc05297g
Publication status	Published - 7 Jan 2022

Outstanding thermal conductivity and mechanical properties in the direct gap semiconducting penta-NiN2 monolayer confirmed by first-principles

Mortazavi, B., Zhuang, X., Rabczuk, T. & Shapeev, A. V., Jun 2022, In: Physica E: Low-Dimensional Systems and Nanostructures. 140, 1 p., 115221.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	115221
Number of pages	1
Journal	Physica E: Low-Dimensional Systems and Nanostructures
Volume	140
Early online date	1 Mar 2022
DOIs	https://doi.org/10.1016/j.physe.2022.115221
Publication status	Published - Jun 2022

Ultrahigh strength and negative thermal expansion and low thermal conductivity in graphyne nanosheets confirmed by machine-learning interatomic potentials

Mortazavi, B. & Zhuang, X., Nov 2022, In: FlatChem. 36, 100446.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	100446
Journal	FlatChem
Volume	36
Early online date	7 Nov 2022
DOIs	https://doi.org/10.1016/j.flatc.2022.100446
Publication status	Published - Nov 2022

Cherenkov radiation and scattering of external dispersive waves by two-color solitons

Oreshnikov, I., Melchert, O., Willms, S., Bose, S., Babushkin, I., Demircan, A., Morgner, U. & Yulin, A., 22 Nov 2022, In: Physical Review A. 106, 5, 053514.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	053514
Journal	Physical Review A
Volume	106
Issue number	5
DOIs	https://doi.org/10.48550/arXiv.2207.03541 https://doi.org/10.1103/PhysRevA.106.053514
Publication status	Published - 22 Nov 2022

Roadmap on multimode light shaping

Piccardo, M., Ginis, V., Forbes, A., Mahler, S., Friesem, A. A., Davidson, N., Ren, H., Dorrah, A. H., Capasso, F., Dullo, F. T., Ahluwalia, B. S., Ambrosio, A., Gigan, S., Treps, N., Hiekkamaki, M., Fickler, R., Kues, M., Moss, D., Morandotti, R., Riemensberger, J., Kippenberg, T. J., Faist, J., Scalari, G., Picqué, N., Hansch, T. W., Cerullo, G., Manzoni, C., Lugiato, L. A., Brambilla, M., Columbo, L., Gatti, A., Prati, F., Shiri, A., Abouraddy, A. F., Alu, A., Galiffi, E., Pendry, J. B. & Huidobro, P. A., Jan 2022, In: Journal of Optics (United Kingdom). 24, 1, 013001.

Research output: Contribution to journal › Article › Research › peer review

Original language	English
Article number	013001
Journal	Journal of Optics (United Kingdom)
Volume	24
Issue number	1
Early online date	16 Dec 2021
DOIs	https://doi.org/10.1088/2040-8986/ac3a9d
Publication status	Published - Jan 2022

Publications of CSST

Stochastic full-range multiscale modeling of thermal conductivity of Polymeric carbon nanotubes composites: A machine learning approach

Stochastic integrated machine learning based multiscale approach for the prediction of the thermal conductivity in carbon nanotube reinforced polymeric composites

Mechanical, optical, and thermoelectric properties of semiconducting ZnIn2X4 (X= S, Se, Te) monolayers

Optical and thermoelectric properties of non-Janus CuI and AgI, and Janus Cu2BrI and Ag2BrI monolayers by many-body perturbation theory

Telecom-compatible, affordable and scalable quantum technologies

Publication series

Conference

A combined first-principles and machine-learning investigation on the stability, electronic, optical, and mechanical properties of novel C6N7-based nanoporous carbon nitrides

A first-principles and machine-learning investigation on the electronic, photocatalytic, mechanical and heat conduction properties of nanoporous C5N monolayers

A first-principles study on the physical properties of two-dimensional Nb₃Cl₈, Nb₃Br₈ and Nb₃I₈

A machine-learning-based investigation on the mechanical/failure response and thermal conductivity of semiconducting BC₂N monolayers

Anisotropic and outstanding mechanical, thermal conduction, optical, and piezoelectric responses in a novel semiconducting BCN monolayer confirmed by first-principles and machine learning

Anisotropic mechanical response, high negative thermal expansion, and outstanding dynamical stability of biphenylene monolayer revealed by machine-learning interatomic potentials

A Theoretical Investigation on the Physical Properties of Zirconium Trichalcogenides, ZrS₃, ZrSe₃ and ZrTe₃ Monolayers

Comment on "a novel two-dimensional boron-carbon-nitride (BCN) monolayer: A first-principles insight" [J. Appl. Phys. 130, 114301 (2021)]

Comment on “Erratum: ‘Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations’ [Appl. Phys. Lett. 119, 142102 (2021)]”: [Appl. Phys. Lett. 120, 189901 (2022)]

Comment on 'MoSi₂N₄single-layer: A novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties'

Comment on 'Two-dimensional carbon nitride C₆N nanosheet with egg-comb-like structure and electronic properties of a semimetal [2021, Nanotechnology 32,215702]'

Electronic, Optical, Mechanical and Li-Ion Storage Properties of Novel Benzotrithiophene-Based Graphdiyne Monolayers Explored by First Principles and Machine Learning

Exploring thermal expansion of carbon-based nanosheets by machine-learning interatomic potentials

Highly anisotropic mechanical and optical properties of 2D NbOX2 (X= Cl, Br, I) revealed by first-principle

Low and Anisotropic Tensile Strength and Thermal Conductivity in the Single-Layer Fullerene Network Predicted by Machine-Learning Interatomic Potentials

Mechanical, thermal transport, electronic and photocatalytic properties of penta-PdPS, -PdPSe and -PdPTe monolayers explored by first-principles calculations

Outstanding thermal conductivity and mechanical properties in the direct gap semiconducting penta-NiN2 monolayer confirmed by first-principles

Ultrahigh strength and negative thermal expansion and low thermal conductivity in graphyne nanosheets confirmed by machine-learning interatomic potentials

Cherenkov radiation and scattering of external dispersive waves by two-color solitons

Roadmap on multimode light shaping

Funding

Publications of CSST

Stochastic full-range multiscale modeling of thermal conductivity of Polymeric carbon nanotubes composites: A machine learning approach

Stochastic integrated machine learning based multiscale approach for the prediction of the thermal conductivity in carbon nanotube reinforced polymeric composites

Mechanical, optical, and thermoelectric properties of semiconducting ZnIn2X4 (X= S, Se, Te) monolayers

Optical and thermoelectric properties of non-Janus CuI and AgI, and Janus Cu2BrI and Ag2BrI monolayers by many-body perturbation theory

Telecom-compatible, affordable and scalable quantum technologies

Publication series

Conference

A combined first-principles and machine-learning investigation on the stability, electronic, optical, and mechanical properties of novel C6N7-based nanoporous carbon nitrides

A first-principles and machine-learning investigation on the electronic, photocatalytic, mechanical and heat conduction properties of nanoporous C5N monolayers

A first-principles study on the physical properties of two-dimensional Nb3Cl8, Nb3Br8 and Nb3I8

A machine-learning-based investigation on the mechanical/failure response and thermal conductivity of semiconducting BC2N monolayers

Anisotropic and outstanding mechanical, thermal conduction, optical, and piezoelectric responses in a novel semiconducting BCN monolayer confirmed by first-principles and machine learning

Anisotropic mechanical response, high negative thermal expansion, and outstanding dynamical stability of biphenylene monolayer revealed by machine-learning interatomic potentials

A Theoretical Investigation on the Physical Properties of Zirconium Trichalcogenides, ZrS3, ZrSe3 and ZrTe3 Monolayers

Comment on "a novel two-dimensional boron-carbon-nitride (BCN) monolayer: A first-principles insight" [J. Appl. Phys. 130, 114301 (2021)]

Comment on “Erratum: ‘Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations’ [Appl. Phys. Lett. 119, 142102 (2021)]”: [Appl. Phys. Lett. 120, 189901 (2022)]

Comment on 'MoSi2N4single-layer: A novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties'

Comment on 'Two-dimensional carbon nitride C6N nanosheet with egg-comb-like structure and electronic properties of a semimetal [2021, Nanotechnology 32,215702]'

Electronic, Optical, Mechanical and Li-Ion Storage Properties of Novel Benzotrithiophene-Based Graphdiyne Monolayers Explored by First Principles and Machine Learning

Exploring thermal expansion of carbon-based nanosheets by machine-learning interatomic potentials

Highly anisotropic mechanical and optical properties of 2D NbOX2 (X= Cl, Br, I) revealed by first-principle

Low and Anisotropic Tensile Strength and Thermal Conductivity in the Single-Layer Fullerene Network Predicted by Machine-Learning Interatomic Potentials

Mechanical, thermal transport, electronic and photocatalytic properties of penta-PdPS, -PdPSe and -PdPTe monolayers explored by first-principles calculations

Outstanding thermal conductivity and mechanical properties in the direct gap semiconducting penta-NiN2 monolayer confirmed by first-principles

Ultrahigh strength and negative thermal expansion and low thermal conductivity in graphyne nanosheets confirmed by machine-learning interatomic potentials

Cherenkov radiation and scattering of external dispersive waves by two-color solitons

Roadmap on multimode light shaping

Funding

A first-principles study on the physical properties of two-dimensional Nb₃Cl₈, Nb₃Br₈ and Nb₃I₈

A machine-learning-based investigation on the mechanical/failure response and thermal conductivity of semiconducting BC₂N monolayers

A Theoretical Investigation on the Physical Properties of Zirconium Trichalcogenides, ZrS₃, ZrSe₃ and ZrTe₃ Monolayers

Comment on 'MoSi₂N₄single-layer: A novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties'

Comment on 'Two-dimensional carbon nitride C₆N nanosheet with egg-comb-like structure and electronic properties of a semimetal [2021, Nanotechnology 32,215702]'