2023 – 2025

  1. O’Connor, I. Bier, R. Tom, A. M. Hiszpanski, B. A. Steele, and N. Marom “Ab-Initio Crystal Structure Prediction of the Energetic Materials LLM-105, RDX, and HMX”, Crystal Growth & Design, DOI: 10.1021/acs.cgd.3c00027 (2023)
  2. Batabyal, S. Zelzer, A. P. Romagosa, D. Dardzinski, F. Corsetti, N. Marom, P. Krogstrup “Origin of Surface and Subband States at the InAs(111)A Surface”, Phys. Rev. Materials, 7, 066201 (2023)
  3. S. Moayedpour, I. Bier, W. Wen, D. Dardzinski, O. Isayev, and N. Marom “Structure Prediction of Epitaxial Organic Interfaces with Ogre, demonstrated for TCNQ on TTF”, J. Phys. Chem. C, 127, 10398 (2023)
  4. J. A. Jardine, D. Dardzinski, M. Yu, A. Purkayastha, A.-H. Chen, Y.-H. Chang, A. Engel, V. N. Strocov, M. Hocevar, C. J. Palmstrøm, S. M. Frolov, and N. Marom, “First Principles Assessment of CdTe as a Tunnel Barrier at the α-Sn/Insb Interface”, ACS Applied Materials & Interfaces 15, 16288 (2023)
  5. Wang, S. Gao, A. Wang, B. Wang, Y. Guo, and N. Marom “Multiple resonance induced thermally activated delayed fluorescence: Effect of chemical modification” Electronic Structure 5, 014010 (2023)
  6. Heischmidt, M. Yu, D. Dardzinski, J. Etheridge, S. Moayedpour, V. S. Pribiag, P. A. Crowell, N. Marom “First Principles Study of the Electronic Structure of the Ni2MnIn/InAs and Ti2MnIn/InSb Interfaces”, Phys. Rev. Materials, 7, 026203 (2023)
  7. R. Tom, S. Gao, Y. Yang, K. Zhao, I. Bier, E. A. Buchanan, A. Zaykov, Z. Havlas, J. Michl, and N. Marom “Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization”, Chem. Mater. 35, 1373 (2023)
  8. I. Andrusenko, C. L. Hall, E. Mugnaioli, J. Potticary, S. R. Hall, W. Schmidt, S. Gao, K Zhao, N. Marom, M. Gemmi “True molecular conformation and structure determination by three-dimensional electron diffraction of PAH by-products potentially useful for electronic applications”, IUCrJ 10,131 (2023)