PUBLICATIONS

Journal Articles

  1. R Tahawy, E Doustkhah, E A Abdel-Aal, M Esmat, F E Farghaly, H El-Hosainy, N Tsunoji, F I El-Hosiny, Y Yamauchi, M H N Assadi, Y Ide “Exceptionally oxidation-insensitive green rust, a mixed-valent iron layered double hydroxideApplied Catalysis B: Environmental 286 119854 (2021).
  2. E Doustkhah, R Hassandoost, A Khataee, R Luque, M H N AssadiHard-template directed MOFs for advanced applicationsChemical Society Reviews 50, 29272953 (2021).
  3. V C Coletta, R V Gonçalves, D A H Hanaor, M H N Assadi, F C F Marcos, F G E Nogueira, E M Assaf, V R Mastelaro “The behaviour of Cu dopant in SrTiO3 perovskite: a combined experimental and computational study towards enhanced water gas shift catalysisACS Applied Energy Materials 4 452–461 (2021). [Preprint]
  4. J J Gutiérrez Moreno, J Cao, M Fronzi, M H N Assadi*A review of recent advances in computational methods for thermoelectric researchMaterials for Renewable and Sustainable Energy 9 16 (2020).
  5. A Zebardasti, M Dekamin, E Doustkhah, M H N AssadiCarbamate-isocyanurate-bridged periodic mesoporous organosilica for van der Waals CO2 captureInorganic Chemistry 59 1223–11227 (2020).
  6. Fronzi, J Bishop, AA Martin, M H N Assadi, Blake Regan, C Stampfl, I Aharonovich, M J Ford, M Toth “Role of knock-on in electron beam induced etching of diamondCarbon 164 51–58 (2020). [Arxiv]
  7. E Adabifiroozjaei, S S Mofarah, H Ma, Y Jiang, M H N Assadi, T Suzuki “Molecular dynamics simulation of vacancy cluster formation in β- and α-Si3N4Computational Materials Science 178 109632 (2020). [Arxiv]
  8. S S Mofarah, E Adabifiroozjaei, Y Wang, H Arandiyan, R Pardehkhorram, Y Yao, M H N Assadi, R Mehmood, W F Chen, C Tsounis, J Scott, S Lim, R Webster, V Zhong, Y Xu, P Koshy, C C Sorrell “Directed assembly of coordination polymers into anisotropic architectures of functional nanostructuresJournal of Materials Chemistry A 8 4753–4763 (2020).
  9. M H N Assadi*, P Mele, M Fronzi “Suppression of magnetism and Seebeck effect in Na875CoO2 induced by SbCo dopantsMaterials for Renewable and Sustainable Energy 9 5 (2020).
  10. M H N Assadi, M Okubo, A Yamada, Y Tateyama “Possible high potential ilmenite type Na1MO3 (M = V–Ni) cathodes realised by dominant oxygen redox reactionPhysical Review Materials 4 015401 (2020). [PDF]
  11. E Doustkhah, H Mohtasham, M Farajzadeh, S Rostamnia, Y Wang, H Arandiyan, M H N Assadi*Organosiloxane tunability in mesoporous organosilica and punctuated Pd Nanoparticles growth; theory and experimentMicroporous & Mesoporous Materials 293 109832 (2020).
  12. M H N Assadi*Na site doping a pathway for enhanced thermoelectric performance in Na1−xCoO2; The case of Gd and Yb dopantsJournal of Physics: Condensed Matter 32 125502 (2020).
  13. E Doustkhah, M Hasani, Y Ide, M H N Assadi*Pd nanoalloys for H2 generation from formic acid” [Review Article] ACS Applied Nano Materials 3, 22–43 (2020).
  14. E Doustkhah, H Mohtasham, M Hasani, Y Ide, S Rostamnia, N Tsunoji, M H N Assadi, “Merging periodic mesoporous organosilica (PMO) with mesoporous aluminosilica (Al/Si-PMO); a catalyst for green oxidationMolecular Catalysis 482 110676 (2020).
  15. S S Mofarah, E Adabifiroozjaei, R Pardehkhorram, M H N Assadi, M Hinterstein, Y Yao, X Liu, M B Ghasemian, K Kalantar-Zadeh, R Mehmood, C Cazorla, R Shahmiri, G Bahmanrokh, S Bhattacharyya, M C Spadaro, J Arbiol, S Lim, Y Xu, H Arandiyan, J Scott, P Koshy, C C Sorrell “Coordination polymer to atomically-thin, holey, metal-oxide nanosheets for tuning band alignmentAdvanced Materials 1905288 (2019).
  16. E Doustkhah, R Najafi Zare, Y Yamauchi, A Taheri-Kafrani, H Mohtasham, M Esmat, N Fukata, S Rostamnia, Y Ide, M H Sadeghi, M H N Assadi*Template-Oriented Synthesis of Hydroxyapatite Nanoplates for 3D Bone PrintingJournal of Materials Chemistry B 7 7228–7234 (2019).
  17. M H N Assadi*, H Katayama-Yoshida “Covalency a Pathway for Achieving High Magnetisation in TMFe2O4 CompoundsJournal of Physical Society of Japan 88 044706 (2019). [Arxiv]
  18. M Fronzi, M H N Assadi*, D A H Hanaor “Theoretical insights into the hydrophobicity of low index CeO2 surfacesApplied Surface Science 478 68–74 (2019). [Arxiv]
  19. M H N Assadi, M Okubo, A Yamada, Y Tateyama “Oxygen Redox Promoted by Na Excess and Covalency in Hexagonal and Monoclinic Na2−xRuO3 PolymorphsJournal of the Electrochemical Society 166 A1–A6 (2019).
  20. E Doustkhah, A Baghban, M H N Assadi*, R Luque, S Rostamnia “Mesoporous SBA-15/PIDA as a dendrimer zwitterionic amino acid-type organocatalyst for three-component indazolophtalazine synthesisCatalysis Letters 149 591–600 (2019).
  21. S E Shirsath, X Liu, M H N Assadi, A Younis, Y Yasukawa, S K Karan, J Zhang, J Kim, D Wang, A Morisako, Y Yamauchi, Sean Li “Au quantum-dots engineered room temperature crystallization and magnetic anisotropy in CoFe2O4 thin filmNanoscale Horizon 4 434–444 (2019).
  22. M Fronzi, M H N Assadi, M Ford “ab-initio investigation of water adsorption and hydrogen evolution on Co9S8 and Co3S4 low index surfacesACS Omega 3 12215–12228 (2018).
  23. M H N Assadi*, M Fronzi, M Ford and Y Shigeta “High-performance Na ion cathodes based on the ubiquitous and reversible O redox reactionJournal of Materials Chemistry A 6 24120–24127 (2018).
  24. M H N Assadi*, Y Shigeta “Dominant role of orbital splitting in determining cathode potential in O3 NaTMO2 compoundsJournal of Power Sources 388 1–4 (2018) [Arxiv].
  25. M H N Assadi*, Y Shigeta “The effect of octahedral distortions on the electronic properties and magnetic interactions in O3 NaTMO2 compounds (TM = Ti-Ni & Zr-Pd)RSC Advances 8 13842–13849 (2018).
  26. M H N Assadi, M Okubo, A Yamada, Y Tateyama “Oxygen redox in hexagonal layered NaxTMO3 (TM = 4d elements) for high capacity Na ion batteriesJournal of Materials Chemistry A 6 3747–3753 (2018).
  27. M H N Assadi*, S Li, R K Zheng, S P Ringer, A. B. Yu “Magnetic, electrochemical and thermoelectric properties of P2-NaxCo7⁄8Sb1/8O2Chemical Physic Letters 687 233–237 (2017). [Arxiv]
  28. M H N Assadi*, H Katayama-Yoshida “Magnetism and spin entropy in Ru doped Na5CoO2Physical Chemistry Chemical Physics 19 23425–23430 (2017).
  29. M H N Assadi*, H Katayama-Yoshida “Native Point Defects in Ti3GeC2 and Ti2GeCComputational Materials Science 128, 103–108 (2017). [Arxiv]
  30. M H N Assadi*, D A H Hanaor “The effects of copper doping on photocatalytic activity at (101) planes of anatase TiO2: A theoretical studyApplied Surface Science 387 682–689 (2016). [Arxiv]
  31. M H N Assadi*, H Katayama-Yoshida “Restoration of long range order of Na ions in NaxCoO2 at high temperatures by sodium site dopingComputational Materials Science 109 308–311 (2015). [Arxiv]
  32. M H N Assadi*, H Katayama-Yoshida “Dopant Incorporation Site in Sodium Cobaltate’s Complex Structure: A Critical Factor in Thermoelectric PerformanceJournal of Physic: Condensed Matter 27 175504 (2015). [Arxiv]
  33. M H N Assadi*, H Katayama-Yoshida “Interplay between magnetism and Na concentration in NaxCoO2Functional Materials Letters 08 1540016 (2015). [Arxiv]
  34. M H N Assadi*, V Sahajwalla “Polymers’ surface interactions with molten iron: a theoretical studyChemical Physics 443 107 (2014).
  35. L Ramin, M H N Assadi*, V Sahajwalla “High-Density Polyethylene Degradation into Low Molecular Weight Gases at 1823 K: An Atomistic SimulationJournal of Analytical and Applied Pyrolysis 110 318–321 (2014).
  36. A Pham, M H N Assadi*, A B Yu, S Li “Critical role of Fock exchange in characterizing dopant geometry and magnetic interaction in magnetic semiconductorsPhysical Review B 89 155110 (2014). [PDF]
  37. M H N Assadi*, V Sahajwalla “Recycling End-of-Life Polycarbonate in Steelmaking: Ab Initio Study of Carbon Dissolution in Molten Iron” Industrial and Engineering Chemistry Research 53 3864 (2014).
  38. M H N Assadi*, D A H Hanaor “Theoretical study on copper’s energetics and magnetism in TiO2 polymorphsJournal of Applied Physics 113 233913 (2013). [Arxiv]
  39. M H N Assadi*, S Li, A B Yu “Selecting the suitable dopants: electronic structures of transition metal and rare earth doped thermoelectric sodium cobaltateRCS Advances 3 1442 (2013). [Arxiv]
  40. A Pham, Y B Zhang, M H N Assadi, A B Yu S Li “Ferromagnetism in ZnO:Co originating from hydrogenated Co-O-Co complexJournal of Physics: Condensed Matter 25 116002 (2013).
  41. P H Tsai, M H N Assadi, T S Zhang, C Ulrich, T T Tan, R Donelson, S Li “Immobilization of Na Ions for Substantial Power Factor Enhancement: Site-Specific Defect Engineering in Na8CoO2Journal of Physical Chemistry C 116 4324 (2012).
  42. M H N Assadi*, R K Zheng, S Li, S R Ringer “First-principles investigation of electrical and magnetic properties of ZnO based diluted magnetic semiconductors codoped with HJournal of Applied Physics 111 113901 (2012).
  43. Y B Zhang, M H N Assadi, S. Li “Subtle interplay between hydrogen and magnetism in Co doped ZnOInternational Journal of Computational Materials Science and Engineering 1 1250001 (2012). [PDF]
  44. L Chuang, D Y Wang, T T Tan, M H N Assadi, S Li “Processing dependence of structural and physical properties of Mg2Ge thin films prepared by pulsed laser depositionThin Solid Films 520 6226–6229 (2012).
  45. D A H Hanaor, M H N Assadi, S Li, A B Yu, C C Sorrell “Ab initio study of phase stability in doped TiO2Computational Mechanics 50 185–194 (2012). [Arxiv]
  46. Y B Zhang, M H N Assadi, S Li “Giant stability of substituent Co chains in ZnO:Co dilute magnetic oxidesAIP Advances 2 042155 (2012).
  47. M H N Assadi*, S Li, R K. Zheng, S P Ringer, A B Yu “In-plane antiferromagnetism in NaxCoO2 induced by SbCo dopants” arxiv.org/abs/1211.6167 (2012). [Arxiv]
  48. M H N Assadi*, Y B Zhang, P Photongkam, S Li “Intrinsic ambient ferromagnetism in ZnO:Co induced by Eu codopingJournal of Applied Physics 109 013909 (2011).
  49. M H N Assadi*, Y B Zhang, R K Zheng, S P Ringer, S Li “Structural and electronic properties of Eu and Pd doped ZnONanoscale Research Letters 6 357 (2011).
  50. Y B Zhang, M H N Assadi, S Li “Structural and magnetic stability of dopants in ZnO-based dilute magnetic semiconductorsJournal of Physics: Condensed Matter 23 066004 (2011).
  51. A Pham, M H N Assadi*, Y B Zhang, A B Yu, S Li “Weak d0 magnetism in C and N doped ZnOJournal of Applied Physics 110 123917 (2011).
  52. M H N Assadi, Y B Zhang, S Li “Hydrogen multicentre bonds mediated magnetism in Co doped ZnOJournal of Physics: Condensed Matter 22 156001 (2010).
  53. M H N Assadi, Y B Zhang, S Li “Predominant role of defects on magnetic interactions in codoped ZnO:CoJournal of Physics: Condensed Matter 22 296004 (2010).
  54. M H N Assadi, Y B Zhang, S Li “The feeble role of oxygen vacancies in magnetic coupling in ZnO based dilute magnetic semiconductorsJournal of Physics: Condensed Matter 22 486003 (2010).
  55. P Photongkam, Y B Zhang, M H N Assadi, S Li, D Yu, M Ionescu, A V Pan “Enhancement of Co substitution induced by Eu codoping in ZnO-based diluted magnetic semiconducting thin filmsJournal of Applied Physics 107 033909 (2010).
  56. M H N Assadi, Y B Zhang, S Li “Subtle interplay between native point defects and magnetism in ZnO:CoApplied Physics Letters 95 072503 (2009).
  57. M H N Assadi, Y B Zhang, S Li “First-principles calculations of enhanced ferromagnetism in ZnO codoped with cobalt and nitrogenJournal of Applied Physics 105 043906 (2009).
  58. M H N Assadi, Y B Zhang, S Li “Substantial stabilization of ferromagnetism in ZnO:Mn induced by N codopingJournal of Physics: Condensed Matter 21 185503 (2009).
  59. Y B Zhang, M H N Assadi, S Li “Isolation and aggregation of substituent Co in ZnO:Co diluted magnetic semiconductorsJournal of Physics: Condensed Matter 21 175802 (2009).
  60. M H N Assadi, Y B Zhang, S Li “N codoping induced ferromagnetism in ZnO:Co (10-10) thin filmsJournal of Applied Physics 106 093911 (2009).

Refereed Conference Proceedings

  1. M H N Assadi*Hf doping at Co site for enhancing the thermoelectric performance in layered Na75CoO2Materials Today: Proceedings 42–3 1542–1546 (2021).
  2. R N Zare, E Doustkhah, M H N AssadiThree-Dimensional Bone Printing Using Hydroxyapatite-PLA CompositeMaterials Today: Proceeding 42–3 1531–1533 (2021). [Abstract]
  3. M H N Assadi*, H Katayama-Yoshida “Sodium cobaltate engineered with alkaline earth metal doping for waste energy harvesting; a theoretical study” Energy Procedia 75, 3259–3264 (2015).
  4. M H N Assadi*, Y B Zhang, S Li “The role of unintentional hydrogen on magnetic properties of Co doped ZnOAIP Conference Proceedings 1399 693 (2010).
  5. M H N Assadi*, Y B Zhang, M Ionescu, P Photongkam, S Li “Intrinsic Ferromagnetism in Eu doped ZnO” The proceedings of “16th Conference on Nuclear and Complementary Techniques of Analysis (2009). [Arxiv]

Invited Talks in Conferences

  1. M H N Assadi “Theoretical Survey of Doped NaxCoO2 for Energy Conversion and Storage Applications”, Presented at The First Eurasian Conference on Nanotechnology, Invited Talk, Baku, Azerbaijan, 3–4, October 2019. [Abstract]
  2. M H N Assadi “Sodium Cobaltate as a building block for thermoelectric materials and modules” Presented at The 20th International Union of Materials Research Societies Conference, Invited Talk, Perth, Australia, 22–26 September 2019.
  3. M H N Assadi, H Katayama-Yoshida “Modifying NaxCoO2 for Energy Applications with Computational Aid” Invited Talk, Workshop on Computational Nano-Materials Design and Realization for Energy-Saving and Energy-Creation Materials, Osaka, Japan, 25–26 March 2016.
  4. M H N Assadi, H Katayama-Yoshida “Search for optimized thermoelectric systems based on sodium cobaltate: Theoretical study” Presented at The 8th International Conference on Advanced Materials Processing (ICAMP‐8), Invited Talk, Gold Coast, QLD, Australia, 27–30 July 2014.

Contributed Talks in Conferences

  1. M H N Assadi, H Katayama-Yoshida “Covalency a Pathway for Achieving High Magnetisation in TMFe2O4 Compounds” The 8th Research workshop on the Strongly Ordered Materials and their Functions, University of Tokyo, Tokyo, 4th January 2019.
  2. M H N Assadi, Y Tateyama “Reversible O redox in Layered Hexagonal Transition Metal Oxides for Na Ion Battery Cathodes with High Potential and High Capacity” Australian symposium on Computationally Enhanced Materials Design (ACEMD18), Sydney, Australia, 20–26 July 2018.
  3. M H N Assadi, H Katayama-Yoshida “Theoretical Survey of Doped Thermoelectric NaxCoO2” The meeting of International Union of Materials Research Societies (IUMRS), Jeju Island, South Korea, 25–29 October 2015.
  4. M H N Assadi, H Katayama-Yoshida “Sodium cobaltate engineered with alkaline earth metal doping for waste energy harvesting; a theoretical study” Presented at 7th International Conference on Applied Energy, Abu Dhabi, UAE, 28–31 March 2015.
  5. M H N Assadi, H Katayama-Yoshida “Theoretical survey of doped sodium cobaltate and strategies for enhancing the thermoelectric performance” Presented at APS March Meeting, San Antonio, Texas, USA, 2–8 March 2015. [Abstract at: http://meeting.aps.org/Meeting/MAR15/Session/L12.1]
  6. M H N Assadi, H Katayama-Yoshida “Ab Initio Insight of Spin Entropy in Thermoelectric NaxCoO2” Presented at The Meeting of International Union of Materials Research Societies (IUMRS-ICA), Fukuoka, Japan, 24–30 August 2014.
  7. M H N Assadi, S Li, A B Yu “The role of hydrogen in ZnO doped Co, a comparison between experiments and various density functional schemes” Presented at WUN SPIN, The University of Sydney, NSW, Australia, 23–25 July 2012
  8. M H N Assadi, S Li, A B Yu “Closed shell and transition metal dopants in sodium cobaltate; different strategies for enhancing thermal performance” Presented at 5th International Conference on Electroceramics, The University of New South Wales, NSW, Australia, 12–16 December 2011.
  9. M H N Assadi, Y B Zhang, S Li, “The optical and magnetic properties of Pd and Eu doped ZnO” Presented at 2010 Virtual Conference of Nanoscale Science and Technology, AMMRF, University of Sydney, Sydney, Australia, 30–31 August 2010.
  10. M H N Assadi, P Photongkam, M Ionescu, D Yu, Y B Zhang, S Li, “Intrinsic Ferromagnetism in Eu doped ZnO” Presented at 16th Conference on Nuclear and Complementary Techniques of Analysis, AINSE, Lucas Heights, NSW, Lucas Heights, NSW, 25–17 November 2009.

Poster Presentations in Conferences

  1. M H N Assadi, M Okubo, A Yamada, Y Tateyama “Surveying Ilmenite Type 4d Transition Metal Oxides for Na Ion Battery Cathodes with High Potential and High Capacity” International Meeting on Li ion Battery (IMLB2018), Kyoto, Japan, 17–22 June, 2018.
  2. M H N Assadi, Y Shigeta “Effect of Na excess and cation disorder on voltage and capacity of NaxRu2O3 as Na ion battery cathode” The 42nd Condensed Matter and Materials Meeting, Wagga Wagga, NSW, Australia, 30 January–2nd February 2018.
  3. M H N Assadi, Y Tateyama “Oxygen Contribution to Redox in Ilmenite Type 4d Transition Metal Oxides; Applications in Na ion Batteries” Car-Parrinello Molecular Dynamics Workshop (CPMD2017), Tsukuba, Japan, 18–20 October 2017
  4. M H N Assadi, H Katayama-Yoshida “Comparative study of the formation energies of Sb, Cu dopants in sodium cobaltate, sensitivity to the treatment of electronic correlation” Psi-k 2015 Meeting, San Sebastian, Spain, September 6–10 2015.
  5. M H N Assadi, H Katayama-Yoshida “Strong correlation effects in thermoelectric Na5CoO2: a case study of non-magnetic dopant” Presented at 19th Conference on Physics and Applications of Spin-related Phenomena in Semiconductors, Tokyo, Japan 15–16 December 2014.
  6. M H N Assadi, H Katayama-Yoshida “Dopant’s chemical coordination: a path for engineering high performance thermoelectric sodium cobaltate” Presented at APS March Meeting, Denver, Colorado, USA, 2–8 March 2014. [Abstract at http://meetings.aps.org/Meeting/MAR14/Session/H1.333].
  7. M H N Assadi, H Katayama-Yoshida “Dependence of Dopant Geometry on Na Concentration in NaxCoO2” Presented at 1st Kansai Nanoscale and Nanotechnology International Symposium, Osaka, Japan, 3–4 February 2014. [Abstract at arXiv:1312.7745].
  8. M H N Assadi, A B Yu, S Li, “DFT simulation of the spin interactions of hydrogen in diluted magnetic semiconductors” Presented at 2nd International Forum in Green Energy & Electronic Materials and Their Applications, University of Wollongong, NSW, Australia, 28–29 March 2011.
  9. M H N Assadi, Y B Zhang, S Li, “The role of unintentional hydrogen on magnetic properties of Co doped ZnO” Presented at 30th International Conference on Physics of Semiconductors, Seoul, South Korea, 25–30 July 2010.
  10. M H N Assadi, Y B Zhang, S Li, “Magnetizing (Zn,Co)O (10-10) thin films by N codoping, an ab initio study” Presented at 33rd Condensed Matter and Materials Meeting, Wagga Wagga, NSW, 4–6 February 2009.
  11. M H N Assadi, Y B Zhang, S Li, “Effect of N codoping on magnetism in ZnO:Co” Presented at Australian Research Network for Advanced Materials (ARNAM) Annual Workshop, Geelong, Victoria, 15–17 December 2008.