Mohammad Khazaei

Journal Paper

1. "Computational Design of the Electronic Response for Volatile Organic Compounds Interacting with Doped Graphene Substrates"
   Li Chen, David Bodesheim, Ahmad Ranjbar, Arezoo Dianat, Robert Biele, Rafael Gutierrez, Mohammad Khazaei, Gianaurelio Cuniberti
   Nanomaterials, Vol. 14, No 22, 2024
2. "Valley-Polarized Topological Phases with In-Plane Magnetization"
   Ranjan Kumar Barik, Subhendu Mishra, Mohammad Khazaei, Shiyao Wang, Yunye Liang, Yann Sun, Ahmad Ranjbar, Teck Leong Tan, Junjie Wang, Seiji Yunoki, Kaoru Ohno, Yoshiyuki Kawazoe, Abhishek K. Singh
   NANO LETTERS, Vol. 24, No 42, pp.13213-13218, 2024
3. "Study on superconductivity in $$\hbox {Nb}_{{2}}$$SC and $$\hbox {Nb}_{2}$$AsC MAX phases at various pressures"
   Mohammad Keivanloo, Mohammad Sandoghchi, Mohammad Reza Mohammadi Zadeh, Mohammad Khazaei
   Scientific Reports, Vol. 14, No 1, 2024
4. "Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics"
   Mohammad Khazaei, Iraj Maleki, Namitha Anna Koshi, Ahmad Ranjbar, Nanxi Miao, Junjie Wang, Rasoul Khaledialidusti, Thomas D. Kuhne, Seung-Cheol Lee, Satadeep Bhattacharjee, Hamid Hosano, Seyed Mehdi Vaez Allaei, Keivan Esfarjani, Kaoru Ohno
   PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 26, No 27, pp.18907-18917, 2024
5. "Remarkable Optoelectronic Characteristics of Synthesizable Square‐Octagon Haeckelite Structures: Machine Learning Materials Discovery"
   Ehsan Alibagheri, Mohammad Khazaei, Ahmad Ranjbar, Thomas D. Kuhne, Seyed Mehdi Vaez Allaei
   ADVANCED FUNCTIONAL MATERIALS, Vol. 34, No 27, 2024
6. "Prediction of Two-dimensional B₉ as High-performance Anode Material for Li/Na/K-ion Batteries"
   Yi Song, Yaxin Di, Shiyao Wang, Mohammad Khazaei, Junjie Wang
   Journal of Physical Chemistry C, Vol. 127, No 48, 2023
7. "Electronic and optical properties of C60/Ti2CT2 and C60/Ti3C2T2 (T F, OH, or O) Heterostructures"
   Zahra Hajiahmadi, Mohammad Khazaei, Ahmad Ranjbar, Alireza Mostafaei, Sergii Chertopalov, Thomas D. Kuhne, Gianaurelio Cuniberti, Hamid Hosano, Hannes Raebiger, Kaoru Ohno
   COMPUTATIONAL MATERIALS SCIENCE, Vol. 228, 2023
8. "Superlattice MAX Phases with A-Layers Reconstructed into 0D-Clusters, 1D-Chains, and 2D-Lattices"
   Mohammad Khazaei, Soungmin Bae, Rasoul Khaledialidusti, Hannu-Pekka Komsa, Somayeh Khazaei, Mohammad Bagheri, Vei Wang, Yasuhide Mochizuki, Mitsuaki Kawamura, Gianaurelio Cuniberti, Seyed Mehdi Vaez Allaei, Kaoru Ohno, Hideo Hosono, Hannes Raebiger
   Journal of Physical Chemistry C, Vol. 127, No 30, 2023
9. "High-throughput study and machine learning on MAX and MAB phases: new materials and fingerprints of superior lattice thermal conductivities"
   Shaohan Li, Zening Yang, Rasoul Khaledialidusti, Shuai Lin, Jin Yu, Mohammad Khazaei, Jing Zhang, Litao Sun, Xin Li, Weiwei Sun
   ACTA MATERIALIA, Vol. 254, 2023
10. "Phase diagram exploration of Tc–Al–B: from bulk Tc2AlB2 to two-dimensional Tc2B2"
    Heng Zhang, Junjie Wang, Mohammad Khazaei, Frederic Guegan, Gilles Frapper
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 23, No 38, pp.22086-22095, 2022
11. "Electronic Structures of Group III–V Element Haeckelite Compounds: A Novel Family of Semiconductors, Dirac Semimetals, and Topological Insulators"
    Mohammad Khazaei, Ahmad Ranjbar, Yunye Liang, Yoon-Gu Kang, Rasoul Khaledialidusti, Soungmin Bae, Hannes Raebiger, Vei Wang, Myung Joon Han, Hiroshi Mizoguchi, Mohammad S. Bahramy, Thomas. D. Kuhne, Rodion V. Belosludov, Kaoru Ohno, Hideo Ohno
    ADVANCED FUNCTIONAL MATERIALS, Vol. -, 2022
12. "Strain Engineering to Release Trapped Hole Carriers in p-Type Haeckelite GaN"
    Soungmin Bae, Yoon-Gu Kang, Mohammad Khazaei, Kodai Ichihashi, Varghese Swamy, Myung Joon Han, Kee Joo Chang, Ken-ichi Shudo, Hannes Raebiger
    ACS Applied Electronic Materials, Vol. 3, No 12, pp.5257-5264, 2021
13. "Facile Synthesis of Ti₂AC (A = Zn, Al, In, and Ga) MAX Phases by Hydrogen Incorporation into Crystallographic Voids"
    Yangfan -Lu, Mohammad Khazaei, Xinmeng -Hu, Rasoul Khaledialidusti, Masato Sasase, Jiazhen Wu-, Hideo Hosono
    Journal of Physical Chemistry Letters, Vol. 12, No 46, pp.11245-11251, 2021
14. "Hypercoordinate two-dimensional transition-metal borides for spintronics and catalyst applications"
    Shiyao Wang, Mohammad Khazaei, Junjie Wang, Hideo Hosono
    Journal of Materials Chemistry C, Vol. 9, No 9212, 2021
15. "MXene Phase with C ₃ Structure Unit: A Family of 2D Electrides"
    Soungmin Bae, William Espinosa-Garcia, Yoon-Gu Kang, Noriyuki Egawa, Juho Lee, Kazuaki Kuwahata, Mohammad Khazaei, Kaoru Ohno, Yong-Hoon Kim, Myung Joon Han, Hideo Hosono, Gustavo M. Dalpian, Hannes Raebiger
    ADVANCED FUNCTIONAL MATERIALS, Vol. 31, No 24, 2021
16. "High-throughput computational discovery of ternary-layered MAX phases and prediction of their exfoliation for formation of 2D MXenes"
    Rasoul Khaledialidusti, Mohammad Khazaei, Somayeh Khazaei, Kaoru Ohno
    Nanoscale, Vol. 13, No 15, pp.7294-7307, 2021
17. "Exploring structural, electronic, and mechanical properties of 2D hexagonal MBenes"
    Rasoul Khaledialidusti, Mohammad Khazaei, Vei Wang, Nanxi Miao, Chen -Shi, Jianfeng Wang, Junjie Wang
    JOURNAL OF PHYSICS-CONDENSED MATTER, Vol. 33, No 15, 2021