نتائج البحث - "Partovi-Azar, Pouya"

المساهمون: Deutsche Forschungsgemeinschaft, Zentrum für Informationsdienste und Hochleistungsrechnen, Technische Universität Dresden, European Social Fund

المصدر: RSC Advances ; volume 13, issue 40, page 27756-27763 ; ISSN 2046-2069

الاتاحة: http://dx.doi.org/10.1039/d3ra02980h
http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA02980H

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Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab-Initio Molecular Dynamics Simulations

المؤلفون: Kessler, Jan, Elgabarty, Hossam, Spura, Thomas, Karhan, Kristof, Partovi-Azar, Pouya, Hassanali, Ali A., Kühne, Thomas D.

المصدر: J. Phys. Chem. B 119, 10079 (2015)

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Soft Condensed Matter, Condensed Matter - Statistical Mechanics, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/1504.07351

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Van der Waals forces from first principles for periodic systems: Application to graphene-water interactions

المؤلفون: Partovi-Azar, Pouya, Kühne, T. D.

مصطلحات موضوعية: Condensed Matter - Materials Science, Condensed Matter - Disordered Systems and Neural Networks, Physics - Chemical Physics, Physics - Computational Physics, Quantum Physics

URL الوصول: http://arxiv.org/abs/1504.04649

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Efficient 'on-the-fly' calculation of Raman spectra from \textit{ab-initio} molecular dynamics: Application to hydrophobic/hydrophilic solutes in bulk water

المؤلفون: Partovi-Azar, Pouya, Kühne, Thomas D.

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Materials Science, Condensed Matter - Soft Condensed Matter, Physics - Biological Physics, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/1504.03639

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7

Academic Journal

Corrigendum to “Origin of shuttle-free sulfurized polyacrylonitrile in lithium-sulfur batteries” [J. Power Sources 492 (30 April 2021) 229508]

المؤلفون: Huang, Chen-Jui, Cheng, Ju-Hsiang, Su, Wei-Nien, Partovi-Azar, Pouya, Kuo, Liang-Yin, Tsai, Meng-Che, Lin, Ming-Hsien, Jand, Sara Panahian, Chan, Ting-Shan, Wu, Nae- Lih, Kaghazchi, Payam, Dai, Hongjie, Bieker, Peter Maria, Hwang, Bing-Joe

المصدر: Journal of Power Sources ; volume 495, page 229818 ; ISSN 0378-7753

الاتاحة: https://doi.org/10.1016/j.jpowsour.2021.229818
https://api.elsevier.com/content/article/PII:S037877532100358X?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S037877532100358X?httpAccept=text/plain

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8

Toward Ab initio Simulation of Operando Raman Spectroscopy: Application to Sulfur/Carbon Copolymer Cathodes in Li-S Batteries

المؤلفون: Kiani, Rana, Sheng, Huiying, Held, Timo, Löhmann, Oliver, Risse, Sebastian, Sebastiani, Daniel, Partovi-Azar, Pouya

المساهمون: Deutsche Forschungsgemeinschaft

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2024-q6ssd
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/66eaeece12ff75c3a1b55332/original/toward-ab-initio-simulation-of-operando-raman-spectroscopy-application-to-sulfur-carbon-copolymer-cathodes-in-li-s-batteries.pdf

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9

Academic Journal

Efficient method for estimating the dynamics of the full polarizability tensor during ab initio molecular dynamics simulations

المؤلفون: Partovi-Azar, Pouya

المساهمون: Deutsche Forschungsgemeinschaft

المصدر: Physical Review B ; volume 108, issue 23 ; ISSN 2469-9950 2469-9969

الاتاحة: http://dx.doi.org/10.1103/physrevb.108.235157
https://link.aps.org/article/10.1103/PhysRevB.108.235157
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.108.235157/fulltext

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Characterization of sulfur/carbon copolymer cathodes for Li-S batteries: a combined experimental and ab initio Raman spectroscopy study

المؤلفون: Kiani, Rana, Steimecke, Matthias, Alqaisi, Marah, Bron, Michael, Sebastiani, Daniel, Partovi-Azar, Pouya

المساهمون: Deutsche Forschungsgemeinschaft, European Social Fund

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2023-6fxzk
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/64103da17290f69f8ef4d44f/original/characterization-of-sulfur-carbon-copolymer-cathodes-for-li-s-batteries-a-combined-experimental-and-ab-initio-raman-spectroscopy-study.pdf

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11

Academic Journal

Optimized effective potentials to increase the accuracy of approximate proton transfer energy calculations in the excited state.

المؤلفون: Partovi–Azar, Pouya¹ (AUTHOR) pouya.partovi-azar@chemie.uni-halle.de, Sebastiani, Daniel¹ (AUTHOR) daniel.sebastiani@chemie.uni-halle.de

المصدر: Journal of Chemical Physics. 2/14/2020, Vol. 152 Issue 6, p1-6. 6p. 1 Diagram, 1 Chart, 3 Graphs.

مصطلحات موضوعية: *EXCITED state energies, *INTRAMOLECULAR proton transfer reactions, *ENERGY transfer, *PSEUDOPOTENTIAL method, *TIME-dependent density functional theory, *ION mobility, *DENSITY functional theory

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Academic Journal

Sulfur/Polyacrylonitrile-Based N-Terminated Graphene Nanoribbon Cathodes for Li-S Batteries

المؤلفون: Partovi-Azar, Pouya

المساهمون: DFG

المصدر: Physical Review Applied ; volume 18, issue 4 ; ISSN 2331-7019

الاتاحة: http://dx.doi.org/10.1103/physrevapplied.18.044072
https://link.aps.org/article/10.1103/PhysRevApplied.18.044072
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevApplied.18.044072/fulltext

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13

Academic Journal

Evidence for the existence of Li 2 S 2 clusters in lithium–sulfur batteries: ab initio Raman spectroscopy simulation

المؤلفون: Partovi-Azar, Pouya, Kühne, Thomas D., Kaghazchi, Payam

المساهمون: Bundesministerium für Bildung und Forschung

المصدر: Physical Chemistry Chemical Physics ; volume 17, issue 34, page 22009-22014 ; ISSN 1463-9076 1463-9084

الاتاحة: http://dx.doi.org/10.1039/c5cp02781k
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP02781K

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14

Academic Journal

Origin of shuttle-free sulfurized polyacrylonitrile in lithium-sulfur batteries

المؤلفون: Huang, Chen-Jui, Cheng, Ju-Hsiang, Kaghazchi, Payam, Dai, Hongjie, Bieker, Peter Maria, Hwang, Bing-Joe, Su, Wei-Nien, Partovi-Azar, Pouya, Kuo, Liang-Yin, Tsai, Meng-Che, Lin, Ming-Hsien, Panahian Jand, Sara, Chan, Ting-Shan, Wu, Nae-Lih

المصدر: Journal of power sources 492, 229508 - (2021). doi:10.1016/j.jpowsour.2021.229508

مصطلحات موضوعية: info:eu-repo/classification/ddc/620

جغرافية الموضوع: DE

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000635068900002; info:eu-repo/semantics/altIdentifier/issn/0378-7753; info:eu-repo/semantics/altIdentifier/issn/1873-2755; https://juser.fz-juelich.de/record/903989; https://juser.fz-juelich.de/search?p=id:%22FZJ-2021-05559%22

الاتاحة: https://juser.fz-juelich.de/record/903989
https://juser.fz-juelich.de/search?p=id:%22FZJ-2021-05559%22

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