Hydrogen adsorption energy trends in Mo/WXY (X, Y = S, Se, Te) regular and Janus TMD monolayers: A first-principles and machine learning study

G. Tejaswini, A. E. Sudheer, A. Kumar, P. K. Perepu, M. Vallinayagam, C. Kamal, S. M. Prakash, M. Posselt, M. Zschornak, M. Devaraj

• Journal of Materials Chemistry A (2025)

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Theoretical insights into PtSSe–SnSSe heterostructures for renewable energy applications

C. Karthikeyan, A. Tejaswini, A. E. Sudheer, M. Vallinayagam, M. Posselt, M. Zschornak, M. Devaraj

• Journal of Materials Chemistry C (2025)

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Tuning the morphology of self-assembled nanopatterns on MgO(001) surfaces by sequential broad-beam ion irradiation

D. Erb, S. Facsko

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• Ion Beam Center DOI: 10.17815/jlsrf-3-159

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High-Resolution Correlative Microscopy Approach for Nanobio Interface Studies of Nanoparticle-Induced Lung Epithelial Cell Damage

R. Podlipec, L. Pirker, A. Krišelj, G. Hlawacek, A. Gianoncelli, P. Pelicon

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Programmable activation of quantum emitters in high-purity silicon with focused carbon ion beams

M. Hollenbach, N. Klingner, P. Mazarov, W. Pilz, A. Nadzeyka, F. Mayer, N. V. Abrosimov, L. Bischoff, G. Hlawacek, M. Helm, G. Astakhov

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• Advanced Quantum Technologies 8(2025), 2400184

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First principles study on stability, electronic and optical properties of 2D SbXY(X=Se/Te, Y=I/Br)Janus layers

A. E. Sudheer, A. Kumar, G. Tejaswini, M. Vallinayagam, M. Posselt, M. Zschornak, C. Kamal, M. Devaraj

• Physical Chemistry Chemical Physics 47(2024)26, 29371-29383
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Band alignment in CdS-α-Te van der Waals heterostructures for photocatalytic applications: Influence of biaxial strain and electric field

G. Tejaswini, A. E. Sudheer, M. Vallinayagam, M. Posselt, M. Zschornak, S. Maniprakash, M. Devaraj

• Physical Chemistry Chemical Physics 26(2024), 29339-29350
  Cited 2 times in Scopus

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Fabrication of palladium-enriched metallic structures by direct focused He+ and Ne+ beam nanowriting from organometallic thin films: a com- parison with Ga+ and e− beams

L. Herrer, A. Salvador-Porroche, G. Hlawacek, P. Cea, J. María De Teresa

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• Nanoscale 45(2024)16, 21128-21137
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Focused electron beam induced deposition of magnetic tips for improved magnetic force microscopy

A. T. Escalante-Quiceno, V. V. Fernández, J. I. Martín, A. Hierro-Rodriguez, G. Hlawacek, M. Jaafar, A. Asenjo, C. Magén, J. M. de Teresa

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• Low Temperature Physics 50(2024), 919-927

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Scalable Atomic Arrays for Spin-Based Quantum Computers in Silicon

A. M. Jakob, S. G. Robson, H. R. Firgau, V. Mourik, V. Schmitt, D. Holmes, M. Posselt, E. L. H. Mayes, D. Spemann, J. C. McCallum, A. Morello, D. N. Jamieson

• Advanced Materials 36(2024)40, 2405006
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Experimental and theoretical studies on self-diffusion in amorphous germanium

T. Böckendorf, J. Kirschbaum, F. Kipke, D. Bougeard, J. Lundsgaard-Hansen, A. Nylandsted-Larsen, M. Posselt, H. Bracht

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First principles investigation on structural and optoelectronic properties of newly designed Janus lead halides PbXY (X, Y = F, Cl, Br, I )

A. E. Sudheer, G. Tejaswini, M. Posselt, M. Devaraj

• Computational Materials Science 243(2024), 113123
  Cited 5 times in Scopus

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Studies of the morphology of hematite synthesized from waste iron sulfate

K. Splinter, R. Möckel, G. Hlawacek, Z. Lendzion-Bielun

• Molecules 29(2024)15, 3527

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Tuning the Electronic Characteristics of Monolayer MoS2-Based Transistors by Ion Irradiation: The Role of the Substrate

Z. Fekri, P. Chava, G. Hlawacek, M. Ghorbani Asl, S. Kretschmer, W. Awan, V. Koladi Mootheri, N. Sycheva, A. George, A. Turchanin, K. Watanabe, T. Taniguchi, M. Helm, A. Krasheninnikov, A. Erbe

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Metalloid-doping in SMoSe Janus layers: first-principles study on efficient catalysts for the hydrogen evolution reaction

M. Vallinayagam, J. Karthikeyan, M. Posselt, M. Devaraj, M. Zschornak

• Journal of Materials Chemistry A 12(2024), 7742-7753
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Contribution of black carbon and desert dust to aerosol absorption in the atmosphere of the Eastern Arabian Peninsula

M. M. K. Mahfouz, G. Skok, J. Sciare, M. Pikridas, M. Rami Alfarra, S. Moosakutty, B. Alfoldy, M. Ivančič, M. Rigler, A. Gregorič, R. Podlipec, S. Lohmann, G. Hlawacek, R. Heller, E. Tutsak, G. Močnik

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• Atmospheric Environment 324(2024), 120427
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A low-kiloelectronvolt focused ion beam strategy for processing low-thermal-conductance materials with nanoampere currents

A. Wolff, N. Klingner, W. Thompson, Y. Zhou, J. Lin, Y. Xiao

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Ultralong-term high-density data storage with atomic defects in SiC

M. Hollenbach, C. Kasper, D. Erb, L. Bischoff, G. Hlawacek, H. Kraus, W. Kada, T. Ohshima, M. Helm, S. Facsko, V. Dyakonov, G. Astakhov

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Transport of dust across the Solar System: Constraints on the spatial origin of individual micrometeorites from cosmic-ray exposure

J. Feige, A. Airo, D. Berger, D. Brückner, A. Gärtner, M. Genge, I. Leya, F. Habibi Marekani, L. Hecht, N. Klingner, J. Lachner, X. Li, S. Merchel, J. Nissen, A. B. C. Patzer, S. Peterson, A. Schropp, C. Sager, M. D. Suttle, R. Trappitsch, J. Weinhold

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Defects distribution and evolution in selected-area helium ion implanted 4H-SiC

Y. Song, Z. Xu, M. Rommel, G. Astakhov, G. Hlawacek, F. Fang

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An intermediate morphology in the patterning of the crystalline Ge(001) surface induced by ion irradiation

D. Erb, D. A. Pearson, T. Skeren, M. Engler, R. M. Bradley, S. Facsko

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• Physical Review B 109(2024), 045439
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