Publications

Sandipan Sen, Xi Zhang, Lukasz Rogal, Juliana Schell, Gerhard Wilde, Blazej Tadeusz Grabowski, and Sergiy V. Divinski. Sc diffusion in HCP high entropy alloys. Scripta materialia, (242):115917, Elsevier, 2024. [PUMA: ubs_30032 unibibliografie ubs_10003 oa ubs_20003 ubs_40294 wos]

Prashanth Srinivasan, David Demuriya, Blazej Tadeusz Grabowski, and Alexander Shapeev. Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom. npj computational materials, (10):41, Nature Publishing Group, 2024. [PUMA: ubs_30032 unibibliografie ubs_10003 oa ubs_20003 ubs_40294 wos]

Ke Wang, Yug Joshi, Tobias Kohler, Monica Mead, and Guido Schmitz. Reversible interfacial Li-oxide formation on germanium and silicon anodes revealed by time-resolved microgravimetry. Journal of materials chemistry. A, Materials for energy and sustainability, (12)8:4610-4622, Royal Society of Chemistry, 2024. [PUMA: ubs_30032 unibibliografie ubs_10003 oa ubs_20003 wos ubs_40053]

Anjum Shahzad, F. Yang, J. Steffen, C. Neiss, A. Panchenko, K. Goetz, C. Vogel, M. Weisser, J. P. Embs, W. Petry, W. Lohstroh, A. Görling, I Goychuk, and T. Unruh. Atomic diffusion in liquid gallium and gallium-nickel alloys probed by quasielastic neutron scattering and molecular dynamic simulations. Journal of physics. Condensed matter, (36)17:175403, Institute of Physics, 2024. [PUMA: ubs_30032 unibibliografie ubs_10003 oa ubs_20003 ubs_40052 wos]

Martine Jacob, Kerstin Wissel, and Oliver Clemens. Recycling of solid-state batteries : challenge and opportunity for a circular economy?. Materials futures, (3)1:012101, Institute of Physics, 2024. [PUMA: ubs_30032 unibibliografie ubs_10003 oa ubs_20003 ubs_40052 wos]

G. Mohan Muralikrishna, Sandipan Sen, Sai Kumaran Ayyappan, S. Sankaran, K. Guruvidyathri, Juliana Schell, Lukasz Rogal, Xi Zhang, Joachim Mayer, Blazej Tadeusz Grabowski, Gerhard Wilde, and Sergiy V. Divinski. Microstructure stability and self-diffusion in the equiatomic HfScTiZr HCP multi-principal element alloy. Journal of alloys and compounds, (976):173196, Elsevier, 2024. [PUMA: ubs_30032 unibibliografie ubs_10003 oa ubs_20003 ubs_40294 wos]

Ekkehard Krüger. Extremely Narrow Superconducting Band with Crystal Spin 3/2ℏ in LaH10. Symmetry, (15)8:1533, MDPI, 2023. [PUMA: f2023 ubs_30032 unibibliografie ubs_10003 oa ubs_20003 oafonds wos gold]

Amruta Shelar, Shivraj Hariram Nile, Ajay Vikram Singh, Dirk Rothenstein, Joachim Bill, Jianbo Xiao, Manohar Chaskar, Guoyin Kai, and Rajendra Patil. Recent Advances in Nano-Enabled Seed Treatment Strategies for Sustainable Agriculture : Challenges, Risk Assessment, and Future Perspectives. Nano-Micro letters, (15)1:54, Springer, 2023. [PUMA: ubs_30032 unibibliografie ubs_10003 oa ubs_20003 ubs_40052 wos]

Andreas Klein, Karsten Albe, Nicole Bein, Oliver Clemens, Kim Alexander Creutz, Paul Erhart, Markus Frericks, Elaheh Ghorbani, Jan Philipp Hofmann, Binxiang Huang, Bernhard Kaiser, Ute Kolb, Jurij Koruza, Christian Kübel, Katharina N. S. Lohaus, Juergen Roedel, Jochen Rohrer, Wolfgang Rheinheimer, Roger A. Souza, Verena Streibel, Anke Weidenkaff, Marc Widenmeyer, Bai-Xiang Xu, and Hongbin Zhang. The Fermi energy as common parameter to describe charge compensation mechanisms : A path to Fermi level engineering of oxide electroceramics. Journal of electroceramics, (51)3:147-177, Springer, 2023. [PUMA: ubs_30032 unibibliografie ubs_10003 oa ubs_20003 ubs_40052 wos]

Karina Abitaev, Petia Atanasova, Joachim Bill, Natalie Preisig, Ivan Kuzmenko, Jan Ilavsky, Yun Liu, and Thomas Sottmann. In Situ Ultra-Small- and Small-Angle X-ray Scattering Study of ZnO Nanoparticle Formation and Growth through Chemical Bath Deposition in the Presence of Polyvinylpyrrolidone. Nanomaterials, (13)15:2180, MDPI, 2023. [PUMA: ubs_30032 ubs_40062 unibibliografie ubs_10003 oa ubs_20003 ubs_40052 ubs_30035 wos mult]

Luca Cressa, Yanyan Sun, Dustin Andersen, Mathieu Gerard, Olivier De Castro, Dennis Kopljar, Maryam Nojabaee, Andreas Friedrich, Guido Schmitz, Tom Wirtz, and Santhana Eswara. Toward Operando Structural, Chemical, and Electrochemical Analyses of Solid-State Batteries Using Correlative Secondary Ion Mass Spectrometry Imaging. Analytical chemistry, (95)26:9932-9939, American Chemical Society, 2023. [PUMA: ubs_30032 unibibliografie ubs_10004 ubs_10003 oa ubs_20003 ubs_30188 ubs_20004 wos mult ubs_40374 ubs_40053]

Konstantin Gubaev, Viktor Zaverkin, Prashanth Srinivasan, Andrew Ian Duff, Johannes Kästner, and Blazej Tadeusz Grabowski. Performance of two complementary machine-learned potentials in modelling chemically complex systems. npj computational materials, (9)1:129, Nature Publishing Group, 2023. [PUMA: ubs_20003 ubs_40294 oafonds ubs_40065 gold f2023 ubs_30032 unibibliografie ubs_10003 oa transform ubs_30039 wos mult]

Aasir Rashid, Hyunjung Lim, Daniel Plaz, Giamper Escobar Cano, Marc Bresser, Katharina-Sophia Wiegers, Giorgia Confalonieri, Sungho Baek, Guoxing Chen, Armin Feldhoff, Andreas Schulz, Anke Weidenkaff, and Marc Widenmeyer. Hydrogen-Tolerant La0.6Ca0.4Co0.2Fe0.8O3–d Oxygen Transport Membranes from Ultrasonic Spray Synthesis for Plasma-Assisted CO2 Conversion. Membranes, (13)11:875, MDPI, 2023. [PUMA: ubs_30032 unibibliografie ubs_10004 ubs_10003 oa ubs_30055 ubs_20003 ubs_20005 ubs_40345 wos mult]

Alexey S. Kotykhov, Konstantin Gubaev, Max Hodapp, Christian Tantardini, Alexander V. Shapeev, and Ivan S. Novikov. Constrained DFT-based magnetic machine-learning potentials for magnetic alloys : a case study of Fe-Al. Scientific reports, (13)1:19728, Macmillan Publishers, 2023. [PUMA: ubs_30032 unibibliografie ubs_10003 oa ubs_20003 wos]

D. Andersen, H Chen, S. Pal, Luca Cressa, O. De Castro, T. Wirtz, Guido Schmitz, and S. Eswara. Correlative high-resolution imaging of hydrogen in Mg2Ni hydrogen storage thin films. International journal of hydrogen energy, (48)37:13943-13954, Elsevier, 2023. [PUMA: ubs_30032 unibibliografie ubs_10003 oa ubs_20003 wos ubs_40053]

Aamir Iqbal Waidha, Amila Salihovic, Martine Jacob, Vanita Vanita, Burak Aktekin, Kristina Brix, Kerstin Wissel, Ralf Kautenburger, Jürgen Janek, Wolfgang Ensinger, and Oliver Clemens. Recycling of All-Solid-State Li-ion Batteries : A Case Study of the Separation of Individual Components Within a System Composed of LTO, LLZTO and NMC. ChemSusChem, (16)13:e202202361, Wiley-VCH, 2023. [PUMA: ubs_30032 unibibliografie ubs_10003 oa ubs_20003 ubs_40052 wos]

Jong Hyun Jung, Prashanth Srinivasan, Axel Forslund, and Blazej Tadeusz Grabowski. High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials. npj computational materials, (9):3, Springer, 2023. [PUMA: f2023 ubs_30032 unibibliografie ubs_10003 oa ubs_20003 ubs_40294 transform oafonds gold]

Ian Baker, Blazej Tadeusz Grabowski, Sergiy V. Divinski, Xi Zhang, and Yuji Ikeda. Interstitials in compositionally complex alloys. MRS bulletin, (48)7:769-776, Springer, 2023. [PUMA: ubs_30032 unibibliografie ubs_10003 oa ubs_20003 ubs_40294 wos]

Shravan R. Kousik, Helena Solodenko, Azade YazdanYar, Manuel Kirchhof, Peter Schützendübe, Gunther Richter, Sabine Laschat, Maria Fyta, Guido Schmitz, Joachim Bill, and Petia Atanasova. A Complementary Experimental and Theoretical Approach for Probing the Surface Functionalization of ZnO with Molecular Catalyst Linkers. Advanced materials interfaces, (10)26:2300399, Wiley-VCH, 2023. [PUMA: ubs_20003 ubs_20014 ubs_40052 ubs_40214 oafonds ubs_40058 gold f2023 ubs_30032 unibibliografie ubs_10003 oa ubs_30034 ubs_30134 ubs_10008 transform wos mult]

Achim M. Diem, Joachim Bill, and Zaklina Burghard. Fast One-Step Fabrication of Highly Regular Microscrolls with Controllable Surface Morphology. Advanced science, (10)21:2302103, Wiley-VCH, 2023. [PUMA: f2023 ubs_30032 unibibliografie ubs_10003 oa ubs_20003 ubs_40052 transform oafonds wos gold]