Our Publications

We are actively pursuing academic studies at the frontiers of materials science and related fields. A list of our peer-reviewed publications and conference presentations are as follows. 

 

Peer reviewed publications:

  • Czelej, K., Mansoor, M., Sarsil, M. A., Tas, M., Sorkhe, Y. A., Mansoor, M., Mansoor, M., Derin, B., Ergen, O., Timur, S., & Ürgen, M. (2024b). Atomistic Origins of Various Luminescent Centers and n-Type Conductivity in GaN: Exploring the Point Defects Induced by Cr, Mn, and O through an Ab Initio Thermodynamic Approach. Chemistry of Materials, 36(13), 6392–6409. https://doi.org/10.1021/acs.chemmater.4c00178

  • Alkraidi, A. B. N., Mansoor, M., Boztemur, B., Gökçe, H., Kaya, F., Yıldırım, C., Derin, B., Ağaoğulları, D., & Öveçoğlu, M. L. (2024). Computational alloy design, synthesis, and characterization of WMoNbVCrx refractory high entropy alloy prepared by vacuum arc melting. Journal of Alloys and Compounds, 175510. https://doi.org/10.1016/j.jallcom.2024.175510

  • Kiai, M. S., Ponnada, S., Mansoor, M., Aslfattahi, N., & Naskar, S. (2023). Synergistic overview and perspectives of Two-Dimensional heterostructures for cathodes and separators in flexible Li–S batteries. Energy & Fuels, 37(15), 10827–10842. https://doi.org/10.1021/acs.energyfuels.3c01410

  • Saraçoğlu, M., Mansoor, M., Bakırdöven, U., Arpalı, H., Gezici, U. O., & Timur, S. (2023). Challenging the frontiers of superparamagnetism through strain engineering: DFT investigation and co-precipitation synthesis of large aggregated Fe3O4 (magnetite) powder. Journal of Alloys and Compounds, 968, 171895. https://doi.org/10.1016/j.jallcom.2023.171895
  • Kiai, M. S., Ponnada, S., Eroglu, O., Mansoor, M., Aslfattahi, N., Nguyen, V., Gadkari, S., & Sharma, R. K. (2024). Ti3C2Tx nanosheet@Cu/Fe-MOF separators for high-performance lithium–sulfur batteries: an experimental and density functional theory study. Dalton Transactions, 53(1), 82–92. https://doi.org/10.1039/d3dt03134a
  • Boztemur, B., Mansoor, M., Kaya, F., Huang, M., Tekoğlu, E., Öveçoğlu, M., Li, J., & Ağaoğulları, D. (2023b). NdB6 ceramic nanoparticles: first principles calculations, mechanochemical synthesis and strain engineering. Journal of Materials Research and Technology, 24, 5571–5587. https://doi.org/10.1016/j.jmrt.2023.04.165
  • Örnek, C., Zhang, F., Larsson, A., Mansoor, M., Harlow, G. S., Kroll, R., Carlà, F., Hussain, H., Engelberg, D. L., Derin, B., & Pan, J. (2023b). Understanding Passive Film Degradation and its Effect on Hydrogen Embrittlement of Super Duplex Stainless Steel – Synchrotron X-ray and Electrochemical Measurements combined with CalPhaD and ab-initio Computational Studies. Applied Surface Science, 628, 157364. https://doi.org/10.1016/j.apsusc.2023.157364
  • Örnek, C., Mansoor, M., Larsson, A., Zhang, F., Harlow, G. S., Kroll, R., Carlà, F., Hussain, H., Derin, B., Kivisäkk, U., Engelberg, D. L., Lundgren, E., & Pan, J. (2023b). The causation of hydrogen embrittlement of duplex stainless steel: Phase instability of the austenite phase and ductile-to-brittle transition of the ferrite phase – Synergy between experiments and modelling. Corrosion Science, 217, 111140. https://doi.org/10.1016/j.corsci.2023.111140
    • Ponnada, S., Mansoor, M., Aslfattahi, N., Baydogan, N., Naskar, S., Sharma, R. K., & Kiai, M. S. (2023). Sustainable metal-organic framework co-engineered glass fiber separators for safer and longer cycle life of Li-S batteries. Journal of Alloys and Compounds, 941, 168962. https://doi.org/10.1016/j.jallcom.2023.168962
    • Mansoor, M., Mansoor, M., Mansoor, M., Aksoy, A., Seyhan, S. N., Yıldırım, B., Tahiri, A., Solak, N., Kazmanlı, K., Er, Z., Czelej, K., & Ürgen, M. (2022). Ab-initio calculation of point defect equilibria during heat treatment: Nitrogen, hydrogen, and silicon doped diamond. Diamond and Related Materials, 126, 109072. https://doi.org/10.1016/j.diamond.2022.109072
    • Kiai, M. S., Mansoor, M., Ponnada, S., Gorle, D. B., Aslfattahi, N., & Sharma, R. K. (2022). Integration of PDAAQ and Non-stoichiometric MgO as Host Cathode Materials for Lithium-Sulfur Batteries with Superior Cycle Stability: Density Functional Theory Calculations and Experimental Validations. Energy &Amp; Fuels, 36(24), 15199–15209. https://doi.org/10.1021/acs.energyfuels.2c02981
    • Şahin, F. Ç., Mansoor, M., Cengiz, M., Apak, B., Yanmaz, L., Balazsi, K., Fogarassy, Z., Derin, B., Göller, G., Yücel O. (2022). B4C Composites with TiB2-C Core-Shell Microstructure Produced by Self-Propagating High Temperature Synthesis Assisted Spark Plasma Sintering (SHS-SPS). The Journal of Physical Chemistry C. https://doi.org/10.1021/acs.jpcc.2c06179
    • Mansoor, M., Mansoor, M., Mansoor, M., Er, Z., Czelej, K., & Ürgen, M. (2022b). Stress-induced changes in phonon frequencies of ZrSiO4: Infrared spectroscopy-based pressure sensor. Solid State Communications, 357, 114983. https://doi.org/10.1016/j.ssc.2022.114983
    • Kavak, S., Bayrak, K. G., Mansoor, M., Kaba, M., Ayas, E., Balcı-Çağıran, Z., Derin, B., Öveçoğlu, M. L., & Ağaoğulları, D. (2022b). First principles calculations and synthesis of multi-phase (HfTiWZr)B2 high entropy diboride ceramics: Microstructural, mechanical and thermal characterization. Journal of the European Ceramic Society. https://doi.org/10.1016/j.jeurceramsoc.2022.10.047
    • Mansoor, M., Mansoor, M., Mansoor, M., Themelis, T., & Çinar Şahin, F. (2021). Sintered transparent polycrystalline ceramics: the next generation of fillers for clarity enhancement in corundum. Synthesis and Sintering, 1(3), 183–188. https://doi.org/10.53063/synsint.2021.1342
    • Mansoor, M., Mansoor, M., Mansoor, M., Er, Z., & Çinar Şahin, F. (2021). Ab-initio study of paramagnetic defects in Mn and Cr doped transparent polycrystalline Al2O3 ceramics. Synthesis and Sintering, 1(3). https://doi.org/10.53063/synsint.2021.1340

     

    Conference Presentations

    • The Intersection of Quantum Science and Diamond Growth: Going Beyond the NV Center in Search of Novel Qubits (NANOTR-18 2024)
    • High throughput DFT calculations and UHS sintering on high entropy diboride ceramics (ICMATSE 2022)
    • Pressure dependence of defect formation energies in diamond (International Conference on Advances in Materials Science 2021)