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  • Oliver Hofmann
2019

Advances in Density-Functional Calculations for Materials Modeling

Maurer, R. J., Freysoldt, C., Reilly, A. M., Brandenburg, J. G., Hofmann, O. T., Björkman, T., Lebègue, S. & Tkatchenko, A., 1 Jan 2019, In : Annual Review of Materials Research. 49, p. 1-30 30 p.

Research output: Contribution to journalArticleResearchpeer-review

Energy-level alignment at strongly coupled organic-metal interfaces

Chen, M. T., Hofmann, O. T., Gerlach, A., Bröker, B., Bürker, C., Niederhausen, J., Hosokai, T., Zegenhagen, J., Vollmer, A., Rieger, R., Müllen, K., Schreiber, F., Salzmann, I., Koch, N., Zojer, E. & Duhm, S., 1 Jan 2019, In : Journal of Physics Condensed Matter. 31, 19, 194002.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Fractional and integer charge transfer at semiconductor/organic interfaces: The role of hybridization and metallicity

Erker, S. & Hofmann, O. T., 21 Feb 2019, In : Journal of Physical Chemistry Letters. 10, 4, p. 848-854 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Impact of Surface Defects on the Charge Transfer at Inorganic/Organic Interfaces

Wruss, E., Hörmann, L. & Hofmann, O. T., 28 Mar 2019, In : Journal of Physical Chemistry C. 123, 12, p. 7118-7124 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Magnetic configurations of open-shell molecules on metals: The case of CuPc and CoPc on silver

Wruss, E., Prokopiou, G., Kronik, L., Zojer, E., Hofmann, O. T. & Egger, D. A., 30 Aug 2019, In : Physical Review Materials. 3, 8, 086002.

Research output: Contribution to journalArticleResearchpeer-review

SAMPLE: Surface structure search enabled by coarse graining and statistical learning

Hörmann, L., Jeindl, A., Egger, A., Scherbela, M. & Hofmann, O., Nov 2019, In : Computer physics communications. 244, p. 143-155

Research output: Contribution to journalArticleResearchpeer-review

The Impact of Dipolar Layers on the Electronic Properties of Organic/Inorganic Hybrid Interfaces

Zojer, E., Taucher, T. C. & Hofmann, O. T., 23 Jul 2019, In : Advanced Materials Interfaces . 6, 14, 1900581.

Research output: Contribution to journalReview articleResearchpeer-review

Open Access
2018

Charting the energy landscape of metal/organic interfaces via machine learning

Scherbela, M., Hörmann, L., Jeindl, A., Obersteiner, V. & Hofmann, O., 17 Apr 2018, In : Physical Review Materials. 2, 4, p. 043803

Research output: Contribution to journalArticleResearchpeer-review

Distinguishing between Charge-Transfer Mechanisms at Organic/Inorganic Interfaces Employing Hybrid Functionals

Wruss, E., Zojer, E. & Hofmann, O. T., 5 Jul 2018, In : Journal of Physical Chemistry C. 122, 26, p. 14640-14653 14 p.

Research output: Contribution to journalArticleResearchpeer-review

Formation of Occupied and Unoccupied Hybrid Bands at Interfaces between Metals and Organic Donors/Acceptors

Gerbert, D., Hofmann, O. T. & Tegeder, P., 6 Dec 2018, In : Journal of Physical Chemistry C. 122, 48, p. 27554-27560 7 p.

Research output: Contribution to journalArticleResearchpeer-review

NIR Phosphorescent Intramolecularly Bridged Benzoporphyrins and their Application in Oxygen-Compensated Glucose Optode

Zach, P. W., Hofmann, O., Klimant, I. & Borisov, S., 20 Feb 2018, In : Analytical Chemistry. 90, 4

Research output: Contribution to journalArticleResearchpeer-review

Van der Waals Interaction Activated Strong Electronic Coupling at the Interface between Chloro Boron-Subphthalocyanine and Cu(111)

Harivyasi, S. S., Hofmann, O. T., Ilyas, N., Monti, O. L. A. & Zojer, E., 2018, In : Journal of Physical Chemistry C. 122, 6, p. 14621-14630

Research output: Contribution to journalArticleResearchpeer-review

2017

Band Bending Engineering at Organic/Inorganic Interfaces Using Organic Self-Assembled Monolayers

Hofmann, O. T. & Rinke, P., 1 Jun 2017, In : Advanced Electronic Materials. 3, 6, 1600373.

Research output: Contribution to journalArticleResearchpeer-review

Doping dependence of the surface phase stability of polar O-terminated (000) ZnO

Erker, S., Rinke, P., Moll, N. & Hofmann, O. T., 14 Aug 2017, In : New Journal of Physics. 19, 8, 083012.

Research output: Contribution to journalArticleResearchpeer-review

Electrostatic Design of 3D Covalent Organic Networks

Obersteiner, V., Jeindl, A., Götz, J., Perveaux, A., Hofmann, O. T. & Zojer, E., 19 Jul 2017, In : Advanced Materials. 29, 27, 1700888.

Research output: Contribution to journalArticleResearchpeer-review

Exploring the driving forces behind the structural assembly of biphenylthiolates on Au(111)

Verwüster, E., Wruss, E., Zojer, E. & Hofmann, O. T., 14 Jul 2017, In : Journal of Chemical Physics. 147, 2, 024706.

Research output: Contribution to journalArticleResearchpeer-review

Orientation-dependent work-function modification using substituted pyrene-based acceptors

Hofmann, O. T., Glowatzki, H., Bürker, C., Rangger, G. M., Bröker, B., Niederhausen, J., Hosokai, T., Salzmann, I., Blum, R. P., Rieger, R., Vollmer, A., Rajput, P., Gerlach, A., Müllen, K., Schreiber, F., Zojer, E., Koch, N. & Duhm, S., 2017, In : Journal of Physical Chemistry C. 121, 39

Research output: Contribution to journalArticleResearchpeer-review

Structure Prediction for Surface-Induced Phases of Organic Monolayers: Overcoming the Combinatorial Bottleneck

Obersteiner, V., Scherbela, M., Hörmann, L., Wegner, D. & Hofmann, O. T., 12 Jul 2017, In : Nano Letters. 17, 7, p. 4453-4460 8 p.

Research output: Contribution to journalArticleResearchpeer-review

2016

Complex Stoichiometry-Dependent Reordering of 3,4,9,10-Perylenetetracarboxylic Dianhydride on Ag(111) upon K Intercalation

Zwick, C., Baby, A., Gruenewald, M., Verwüster, E., Hofmann, O., Forker, R., Fratesi, G., Brivio, G. P., Zojer, E. & Fritz, T., 2016, In : ACS Nano. 10, p. 2365

Research output: Contribution to journalArticleResearchpeer-review

Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation

Atalla, V., Zhang, I. Y., Hofmann, O. T., Ren, X., Rinke, P. & Scheffler, M., 2016, In : Physical Review / B. 94, 3, p. 035140 1 p.

Research output: Contribution to journalArticleResearchpeer-review

On the adsorption behavior of nonplanar phthalocyanines: Competition of different adsorption conformations

Wruß, E., Hofmann, O., Egger, D., Verwüster, E., Gerlach, A., Schreiber, F. & Zojer, E., 2016, In : The journal of physical chemistry (Washington, DC) / C. 120, p. 6869

Research output: Contribution to journalArticleResearchpeer-review

Phase stability of the polar ZnO surfaces under realistic conditions including doping

Erker, S. & Hofmann, O., 12 Apr 2016.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

Sticking with the Pointy End? Molecular Configuration of Chloro Boron-Subphthalocyanine on Cu(111)

Ilyas, N., Harivyasi, S. S., Zahl, P., Cortes, R., Hofmann, O. T., Sutter, P., Zojer, E. & Monti, O. L. A., 7 Apr 2016, In : Journal of Physical Chemistry C. 120, 13, p. 7113-7121 9 p.

Research output: Contribution to journalArticleResearchpeer-review

Understanding Chemical vs. Electrostatic Shifts in X-ray Photoelectron Spectra of Organic Self-Assembled Monolayers

Taucher, T., Hehn, I., Hofmann, O., Zharnikov, M. & Zojer, E., 2016, In : The journal of physical chemistry (Washington, DC) / C. p. 3428-3437

Research output: Contribution to journalArticleResearchpeer-review