Frauenheim T - Search Results

1

Intermolecular conical intersections in molecular aggregates.

De Sio A, Sommer E, Nguyen XT, Groß L, Popović D, Nebgen BT, Fernandez-Alberti S, Pittalis S, Rozzi CA, Molinari E, Mena-Osteritz E, Bäuerle P, Frauenheim T, Tretiak S, Lienau C. De Sio A, et al. Among authors: frauenheim t. Nat Nanotechnol. 2021 Jan;16(1):63-68. doi: 10.1038/s41565-020-00791-2. Epub 2020 Nov 16. Nat Nanotechnol. 2021. PMID: 33199882

2

Coherent Real-Space Charge Transport Across a Donor-Acceptor Interface Mediated by Vibronic Couplings.

Xu Z, Zhou Y, Groß L, De Sio A, Yam CY, Lienau C, Frauenheim T, Chen G. Xu Z, et al. Among authors: frauenheim t. Nano Lett. 2019 Dec 11;19(12):8630-8637. doi: 10.1021/acs.nanolett.9b03194. Epub 2019 Nov 13. Nano Lett. 2019. PMID: 31698905

3

Revealing generation, migration, and dissociation of electron-hole pairs and current emergence in an organic photovoltaic cell.

Xu Z, Zhou Y, Yam CY, Groß L, De Sio A, Frauenheim T, Lienau C, Chen G. Xu Z, et al. Among authors: frauenheim t. Sci Adv. 2021 Jun 18;7(25):eabf7672. doi: 10.1126/sciadv.abf7672. Print 2021 Jun. Sci Adv. 2021. PMID: 34144986 Free PMC article.

4

Plasmon-Enhanced Exciton Delocalization in Squaraine-Type Molecular Aggregates.

Quenzel T, Timmer D, Gittinger M, Zablocki J, Zheng F, Schiek M, Lützen A, Frauenheim T, Tretiak S, Silies M, Zhong JH, De Sio A, Lienau C. Quenzel T, et al. Among authors: frauenheim t. ACS Nano. 2022 Mar 22;16(3):4693-4704. doi: 10.1021/acsnano.1c11398. Epub 2022 Feb 21. ACS Nano. 2022. PMID: 35188735

5

Control of Polaronic Behavior and Carrier Lifetimes via Metal and Anion Alloying in Chalcogenide Perovskites.

Li QQ, Yan L, Chu W, He J, Luo H, Frauenheim T, Tretiak S, Zhou L. Li QQ, et al. Among authors: frauenheim t. J Phys Chem Lett. 2022 Jun 9;13(22):4955-4962. doi: 10.1021/acs.jpclett.2c00880. Epub 2022 May 31. J Phys Chem Lett. 2022. PMID: 35639456

6

Nonadiabatic molecular dynamics simulations based on time-dependent density functional tight-binding method.

Wu X, Wen S, Song H, Frauenheim T, Tretiak S, Yam C, Zhang Y. Wu X, et al. Among authors: frauenheim t. J Chem Phys. 2022 Aug 28;157(8):084114. doi: 10.1063/5.0100339. J Chem Phys. 2022. PMID: 36049993

7

Charge Delocalization and Vibronic Couplings in Quadrupolar Squaraine Dyes.

Timmer D, Zheng F, Gittinger M, Quenzel T, Lünemann DC, Winte K, Zhang Y, Madjet ME, Zablocki J, Lützen A, Zhong JH, De Sio A, Frauenheim T, Tretiak S, Lienau C. Timmer D, et al. Among authors: frauenheim t. J Am Chem Soc. 2022 Oct 19;144(41):19150-19162. doi: 10.1021/jacs.2c08682. Epub 2022 Oct 7. J Am Chem Soc. 2022. PMID: 36206456

8

Investigation of plasmon relaxation mechanisms using nonadiabatic molecular dynamics.

Wu X, Liu B, Frauenheim T, Tretiak S, Yam C, Zhang Y. Wu X, et al. Among authors: frauenheim t. J Chem Phys. 2022 Dec 7;157(21):214201. doi: 10.1063/5.0127435. J Chem Phys. 2022. PMID: 36511539

9

Carrier multiplication in van der Waals layered transition metal dichalcogenides.

Kim JH, Bergren MR, Park JC, Adhikari S, Lorke M, Frauenheim T, Choe DH, Kim B, Choi H, Gregorkiewicz T, Lee YH. Kim JH, et al. Among authors: frauenheim t. Nat Commun. 2019 Dec 2;10(1):5488. doi: 10.1038/s41467-019-13325-9. Nat Commun. 2019. PMID: 31792222 Free PMC article.

10

Phthalocyanine adsorption to graphene on Ir(111): evidence for decoupling from vibrational spectroscopy.

Endlich M, Gozdzik S, Néel N, da Rosa AL, Frauenheim T, Wehling TO, Kröger J. Endlich M, et al. Among authors: frauenheim t. J Chem Phys. 2014 Nov 14;141(18):184308. doi: 10.1063/1.4901283. J Chem Phys. 2014. PMID: 25399148

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