Refereed Papers


  1. Ni Luh Wulan Septiani, Yusuf Valentino Kaneti, Brian Yuliarto, Nugraha, Hermawan Kresno Dipojono, Toshiaki Takei, Jungmok You, and Yusuke Yamauchi
    “Hybrid nanoarchitecturing of hierarchical zinc oxide wool-ball-like nanostructures with multi-walled carbon nanotubes for achieving sensitive and selective detection of sulfur dioxide”
    Sensors and Actuators B: Chemical, Volume 261, 15 May 2018, Pages 241-251


  1. Ryo Kishida, Adhitya Gandaryus Saputro, Ryan Lacdao Arevalo and Hideaki Kasai,
    “Effects of introduction of a-carboxylate, N-methyl, and N- formyl groups on intramolecular cyclization of o-quinone amines: Density functional theory-based study”
    International Journal of Quantum Chemistry, e25445, 2017.
  2. Heri Setiawan, Raisa Khairani, Mukhlis A. Rahman, Rifki Septawendar, Rino Rakhmata Mukti, Hermawan K. Dipojono, Bambang Sunendar Purwasasmita
    “Synthesis of zeolite and gamma-alumina nanoparticles as ceramic membranes for desalination applications”
    Journal of the Australian Ceramic Society, October 2017, Volume 53, Issue 2, pp 531–538
  3. Mohammad Kemal Agusta, Prasetiyo Hadi Purwoko, Adhitya Gandaryus Saputro, Fadjar Fathurrahman, Hermawan K. Dipojono and Wilson Agerico Diño
    ”Conformational effects on hydrazine and OH coadsorption on Ni(111): A first-principles investigation”
    Surface Science 664,185–193, 2017.
  4. Apresio K. Fajrial, Adhitya G. Saputro, Mohammad K. Agusta, Febdian Rusydi, Nugraha and Hermawan K. Dipojono,
    “First Principles Study of Oxygen Molecule Interaction with Graphitic Active Sites of Boron-doped Pyrolyzed Fe-N-C Catalyst”
    Physical Chemistry Chemical Physics, 19, 23497, 2017.
  5. Nugraha, Adhitya Gandaryus Saputro, Mohammad Kemal Agusta, Brian Yuliarto, Hermawan K. Dipojono, Febdian Rusydi, Ryo Maezono
    “Selectivity of CO and NO adsorption on ZnO (0002) surfaces: A DFT investigation”
    Applied Surface Science Volume 410, 15 July 2017, Pages 373-382
  6. Febdian Rusydi, Ganes Shukri, Adithya G. Saputro, Mohammad K. Agusta, Hermawan K. Dipojono, and Suprijadi
    “Dipole Strength Calculation Based on Two-Level System Approximation to Study Q=B-Band Intensity Ratio of ZnTBP in Solvent”
    Journal of the Physical Society of Japan 86, 044706, 2017
  7. Ni Luh Wulan Septiani, Brian Yuliarto, Nugraha, Hermawan Kresno Dipojono
    “Multiwalled carbon nanotubes–zinc oxide nanocomposites as low temperature toluene gas sensor”
    Applied Physics A, March 2017, 123:166
  8. Eka Cahya Prima, Novianto Nur Hidayat, Brian Yuliarto, Suyatman, Hermawan Kresno Dipojono
    “A combined spectroscopic and TDDFT study of natural dyes extracted from fruit peels of Citrus reticulata and Musa acuminata for dye-sensitized solar cells”
    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Volume 171, 15 January 2017, Pages 112-125


  1. Eka Cahya Prima, Mariya Al Qibtiya, Brian Yuliarto, Suyatman; Hermawan Kresno Dipojono
    “Influence of anthocyanin co-pigment on electron transport and performance in black rice dye-sensitized solar cell”
    Ionics, , Volume 22, Issue 9, pp 1687–1697
  2. Ganes Shukri, Wilson Agerico Dino, Hermawan K. Dipojono, Mohammad Kemal Agusta, Hideaki Kasai,
    “Enhanced molecular adsorption of ethylene on reduced anatase TiO2 (001): role of surface O-vacancies”
    RSC Advances, 2016,6, 92241-92251


  1. Adhitya Gandaryus Saputro and Hideaki Kasai, “Oxygen reduction reaction on neighboring Fe-N4 and quaternary-N sites of pyrolized Fe/N/C catalyst”, Physical Chemistry Chemical Physics, 17, 3059-3071, 2015.
  2. Fadjar Fathurrahman and Hideaki Kasai. “Density Functional Study of Hydrazine Adsorption and Its N–N Bond Cleaving on Fe(110) Surface” Surf. Sci. 639 (2015) 25-31.
  3. Fadjar Fathurrahman and Hideaki Kasai. “Density Functional Study of Hydrazine N–N Bond Cleaving on 3d Metal Surfaces”. Surf. Sci. 641 (2015) 191-197
  4. Ryo Kishida, Adhitya Gandaryus Saputro and Hideaki Kasai, “Mechanism of dopachrome tautomerization into 5,6-dihydroxyindole-2-carboxylic acid catalyzed by Cu(II) based on quantum chemical calculations”, Biochimica et Biophysica Acta 1850 (2015) 281–286


  1. Koichiro Asazawa, Hirofumi Kishi, Hirohisa Tanaka, Daiju Matsumura, Kazuhisa Tamura, Yasuo Nishihata, Adhitya Gandaryus Saputro, Hiroshi Nakanishi, Hideaki Kasai, Kateryna Artyushkova and Plamen Atanassov, “In Situ XAFS and HAXPES Analysis and Theoretical Study of Cobalt Polypyrrole Incorporated on Carbon (CoPPyC) Oxygen Reduction Reaction Catalysts for Anion-Exchange Membrane Fuel Cells”, The Journal of Physical Chemistry C, 118, 25480−25486, 2014.
  2. Febdian Rusydi, Adhitya Gandaryus Saputro, and Hideaki Kasai, ”A density functional study on the change of Q/B-band intensity ratio of zinc tetraphenylporphyrin in solvents”, Journal of the Physical Society of Japan, Vol. 83(8), pp.084802, 2014.
  3. Ryo Kishida, Yohei Ushijima, Adhitya Gandaryus Saputro and Hideaki Kasai, ”pH Effect on elementary steps of dopachrome conversion from first principles calculation”, Pigment Cell & Melanoma Research, 10.1111/pcmr.12256, 2014.
  4. Adhitya Gandaryus Saputro and Hideaki Kasai, ”Density functional theory study on the interaction of O2 and H2O2 molecules with the active sites of cobalt-polypyrrole catalyst”, Journal of the Physical Society of Japan, Vol.83, pp.24707-1, 2014.
  5. Febdian Rusydi, Mohammad Kemal Agusta, Adhitya Gandaryus Saputro and Hideaki Kasai, ”A theoretical study of ligand effects on the electronic structures of ligated zinc porphyrin using density functional theory”, Journal of the Vacuum Society of Japan, Vol.57(3), pp.102-110, 2014.


  1. Adhitya Gandaryus Saputro, Hideaki Kasai, Koichiro Asazawa, Hirofumi Kishi, and Hirohisa Tanaka, ”Comparative study on the catalytic activity of the TM-N2 active sites (TM = Mn, Fe, Co, Ni) in the oxygen reduction reaction: Density functional theory study”, Journal of the Physical Society of Japan, Vol.82(11), pp.114704, 2013.


  1. Adhitya Gandaryus Saputro, Febdian Rusydi, Hideaki Kasai and Hermawan K. Dipojono, ”Oxygen Reduction Reaction on Cobalt-(6)Pyrrole Clus- ter: Density Functional Theory Study”, Journal of the Physical Society of Japan, Vol. 81, pp. 034703, 2012.
  2. Febdian Rusydi, Mohammad Kemal Agusta, Adhitya Gandaryus Saputro and Hideaki Kasai, ”A first principle study on zinc-porphyrin interaction with O2 in zinc-porphyrin(Oxygen) complex”, Journal of the Physical Society of Japan, Vol. 81, pp. 124301, 2012.
  3. Triati Dewi Kencana Wungu, Mohammad Kemal Agusta, Adhitya Gandaryus Saputro, Hermawan Kresno Dipojono and Hideaki Kasai, ”First principles calculation on the adsorption of water on lithium-montmorillonite (Li-MMT)”, Journal of Physics Condensed Matter, Vol. 24, pp. 475506, 2012.


  1. Hermawan Kresno Dipojono, Adhitya Gandaryus Saputro, Susan Menez Aspera and Hideaki Kasai, ”Density functional theory study on the interaction of O2 molecule with Cobalt-(6)Pyrrole clusters”, Japanese Journal of Applied Physics, Vol. 50, pp. 055702, 2011.
  2. Hermawan K. Dipojono, Irma Safitri, Nugraha, Eko Mursito Budi, Nuryanti, Adhitya G. Saputro, Melanie Y. David and Hideaki Kasai, “Immobilization of Amino Acids Leucine and Glycine on Polypyrrole for Biosensor Applications: A Density Functional Theory Study”, ITB Journal of Science, Vol. 43 A, No. 2, 113-122, 2011.


  1. Hermawan K. Dipojono, Adhitya Gandaryus Saputro, Rachid Belkada, Hiroshi Nakanishi, Hideaki Kasai, Melanie David and Eben Sy Dy, ”Adsorption of O2 on cobalt-(n)pyrrole molecules from first-principles calculations”, Journal of the Physical Society of Japan, Vol. 78, pp. 094710-094717, 2009.




  1. Romanudhin, Wahyu Aji Eko Prabowo, Fadjar Fathurrahman, Asih Melatia, and Hermawan Kresno Dipojono. “A First Principle Study of the Electronic Structures of Transition Metal Doped GaN for Diluted Magnetic Semiconductor Applications”. Proc. Eng. 170 (2017) 124-130