Publications

Assoc. Prof. Aleksandar Staykov

Peer‑Reviewed Publications

  1. Zhai, Mengde; Wu, Tianhao; Du, Kaihuai; Chen, Cheng; Shibayama, Naoyuki; Narmandakh, Khongorzul; Khan, Abdul Haseeb Hassan; Wang, Ying-Chiao; Shang, Juan; Staykov, Aleksandar;. Interfacial dipole engineering by self-assembled molecules in nip and pin perovskite solar cells. Nature Communications (2026).
  2. Pourmand Tehrani, Zahra; Stephens, Kyle J; Roddatis, Vladimir; Stahn, Jochen; Staykov, Aleksandar; Schneider, Christof W; Pergolesi, Daniele; Lippert, Thomas;. Characterization of Stable NiOx/SrTaOxNy Bilayers Boosting the Oxygen Evolution Reaction for Solar Water Splitting. Small Science, 6.0, e202500638 (2026).
  3. Wu, Tianhao; Raju, Telugu Bhim; Li, Hengji; Shang, Juan; Cao, Qianwen; Wu, Lifang; Narmandakh, Khongorzul; Song, Jun Tae; Staykov, Aleksandar; Zhang, Chengxi;. Hole-Selective Monolayer Molecules with Spatially Separated Carrier Orbitals and Twisted π-Skeleton for Inverted Perovskite Solar Cells and Modules. ACS nano (2026).
  4. Shang, Juan; Kubota, Masanobu; Staykov, Aleksandar; Yussalla, Vanadia Irisca; Okano, Hiroshi; Naho, Inoue;. CO+ O2 atmosphere as a superior inhibitor of gaseous hydrogen embrittlement in a martensitic steel: Fatigue crack growth and atomistic insights. Scripta Materialia, 117349 (2026).
  5. Naito, Taishi; Fujisaki, Takaya; Tsuji, Yuta; Staykov, Aleksandar Tsekov; Shiratori, Yusuke; Yashiro, Keiji;. Defect Size Engineering in Pyridinic-N-Doped Graphene Surfaces for Hydrogen Sulfide Adsorption and Dissociation: A First-Principles Study. Results in Surfaces and Interfaces, 100787 (2026).
  6. Xie, Ting; Wu, Dandan; Liu, Yuxiang; Jiang, Guojian; Shang, Juan; Staykov, Aleksandar;. Synergistic Cr-doping and crystalline/amorphous heterointerface engineering to promote surface reconstruction of FeCo LDH for efficient oxygen evolution. Journal of Materials Chemistry A, 14.0, 17585-17596 (2026).
  7. Mutharani, Bhuvanenthiran; Ranganathan, Palraj; Chang, Yen-Hsiang; Chiu, Fang-Chyou; Chen, Chin-Wen; Staykov, Aleksandar;. Developing donor-acceptor linear conjugated polymer for dual electrochemical sensing and CO2-to-CO photoconversion. Chemical Engineering Journal, 175619 (2026).
  8. Nguyen, Linh Thi Hoai; Fabbrini, Edoardo; Olenko, Andriy; Staykov, Aleksandar; Cesana, Pierluigi;. Machine learning-based closed-loop for optimizing HOMO–LUMO gap in diarylethene. Physical Chemistry Chemical Physics, 28.0, 10778-10791 (2026).
  9. Chen, Ting; Liu, Yuxiang; Zhu, Xiaotong; He, Yuhuan; Nian, Hongqiang; Sha, Na; Shang, Juan; Staykov, Aleksandar; Tian, Jindan; Zhao, Zhe;. Additively manufactured structured perovskite/Al2O3 monolithic catalysts by digital light processing: design and application for CO2 methanation. Applied Surface Science, 166545 (2026).
  10. Li, Xiu‐Xiu; Hu, En‐Yi; Wang, Fa‐Ze; Wang, Jun; Xia, Chen; Staykov, Aleksandar; Lund, Peter;. Enhancing the Ionic Conduction of Ceria‐Based Electrolytes for LT‐SOFCs via Entropy Engineering. Rare Metals, 45.0, e70034 (2026).
  11. Kikuchi, Yoshikazu; Fujisaki, Takaya; Ishihara, Tatsumi; Kilner, John A; Staykov, Aleksandar;. First-Principles Insights into Dopant-Vacancy Interactions in Acceptor-Doped Perovskites. Journal of Materials Chemistry A (2026).
  12. karmakar, subrata; Yogendra, Kamma; Boddhula, Rajkumar; Mistari, Chetan D; Nayak, Priyambada; Staykov, Aleksandar; Yusupova, Muniskhon; More, Mahendra A;. Electric Field-driven High-performance Electron Emission Response in Spinel MnCo2O4 Nanoneedle Architectures. Journal of Physics D: Applied Physics (2026).
  13. Karmakar, Subrata; Mistari, Chetan D; Kamma, Yogendra; Boddhula, Rajkumar; Staykov, Aleksandar; Yusupova, Muniskhon; Sahoo, Surjit; More, Mahendra A;. Synergistic Enhancement of Electric Field Emission Performance in MgO/r-GO Hybrid Nanostructures: A Correlated DFT Study with Experimental Observation. ACS Applied Engineering Materials (2026).
  14. Shang, Juan; Umezaki, Shunsuke; Masuda, Tatsuhito; Yussalla, Vanadia Irisca; Okano, Hiroshi; Naho, Inoue; Staykov, Aleksandar; Kubota, Masanobu;. Suppressing gaseous hydrogen embrittlement of Cr–Mo steel by introducing water vapor: Insights from experiments and calculations. Corrosion Science, 113252 (2025).
  15. Yang, Dengyao; Li, Huan; Watanabe, Motonori; Inada, Miki; Staykov, Aleksandar; Ishihara, Tatsumi;. Water-in-bisalt electrolyte for high-performance aqueous dual-ion battery. EES Batteries, 1.0, 1762-1772 (2025).
  16. Komoda, Ryosuke; Zhang, Nan; Kubota, Masanobu; Staykov, Aleksander; Ginet, Patrick; Furtado, Jader; Prost, Laurent; Nagao, Akihide;. Mitigation of hydrogen embrittlement of iron and steels by carbon monoxide in gaseous H2. International Journal of Hydrogen Energy, 136.0, 822-832 (2025).
  17. Nguyen, Linh Thi Hoai; Edalati, Kaveh; Kshitij, Vijayvargia; Dadfarnia, Mohsen; Staykov, Aleksandar; Tsuchiyama, Toshihiro; Kubota, Masanobu; Matsunaga, Hisao; Krogstad, Jessica Anne; Sofronis, Petros;. Assessing machine learning predictions of austenitic steel compositions for optimum mechanical response. Materials Science and Engineering: A, 149714 (2025).
  18. Hanindriyo, Adie Tri; Fujisaki, Takaya; Staykov, Aleksandar T;. First-principles NEGF-DFT study of coating materials for solid state batteries. Journal of Physics and Chemistry of Solids, 113413 (2025).
  19. Staykov, Aleksandar; Fujisaki, Takaya;. Electron transport through nanoscale multilayer graphene and hexagonal boron nitride junctions. Beilstein Journal of Nanotechnology, 16.0, 2132-2143 (2025).
  20. Zhang, Nan; Wada, Kentaro; Komoda, Ryuoske; Staykov, Aleksandar; Kubota, Masanobu;. Kinetic modeling of ammonia and hydrogen dissociative co-adsorption on iron surface and its effect on hydrogen embrittlement. Physical Chemistry Chemical Physics, 27.0, 24589-24600 (2025).
  21. Liu, Yuxiang; Jiang, Guojian; Wu, Dandan; Ma, Weidan; Shang, Juan; Staykov, Aleksandar;. Tuning Structural, Optical, and Multiferroic Properties of Y1–x Gd x FeO3 Orthoferrites through Rare-Earth Substitution: A Low-Temperature Hydrothermal Approach. The Journal of Physical Chemistry C, 129.0, 19527-19536 (2025).
  22. Staykov, Aleksandar;. Oxygen activation on carbon-coated iron nanoparticles. New Journal of Chemistry, 49.0, 18103-18113 (2025).
  23. Shang, Juan; Kosem, Nuttavut; Kayo, Yasuhiro; Shen, Xiao-Feng; Matsuyama, Sayo; Watanabe, Motonori; Inada, Miki; Ishihara, Tatsumi; Staykov, Aleksandar;. Improved charge transfer performance of eosin Y-sensitized anatase TiO 2 by anchoring group modification: from theoretical design to experiment. Journal of Materials Chemistry A, 13.0, 35865-35880 (2025).
  24. Vijayvargia, K; Nguyen, T; Dadfarnia, M; Staykov, A; Sofronis, P; Kubota, M; Martin, ML; Pugh, JA;. On the chemomechanics of bubble growth in hydrogen attack of plain carbon steels. Corrosion Science, 253.0, 112999 (2025).
  25. Komoda, Ryosuke; Kubota, Masanobu; Staykov, Aleksandar; Zhang, Nan; Wada, Kentaro;. Effect of water temperature in the deep sea on the mitigation of hydrogen embrittlement by O2 impurity. Engineering Failure Analysis, 109885 (2025).
  26. Klement, WJ Niels; Duijnstee, Daniël R; Telle, Vika; Staykov, Aleksandar; Browne, Wesley R; Verpoorte, Elisabeth;. Exploring Surface-Enhanced Raman Spectroscopy of Pyrazine-2-Carbonitrile for Indirect Label-Free Albumin Quantification in an In Vitro Endothelium Permeability Assay. Analytical Chemistry, 97.0, 4075-4083 (2025).
  27. Fujisaki, Takaya; Tsuji, Yuta; Tu, Phuc Hoan; Doan, Tin Chanh Duc; Rocabado, David S Rivera; Staykov, Aleksandar Tsekov; Yashiro, Keiji; Shiratori, Yusuke;. Investigating Ni nanoparticles on CeO 2 for methane dissociation: a comparative study of theoretical calculations and experimental insights. Physical Chemistry Chemical Physics, 27.0, 5024-5036 (2025).
  28. Maurits de Roo, C; Klement, WJ Niels; Duijnstee, Daniel R; Staykov, Aleksandar; Browne, Wesley R;. Seeing an Unobservable Fe (III)/Fe (IV) Redox Process of the Nonheme Iron N4Py Complex by High-Speed Surface-Enhanced Raman Spectroelectrochemistry. Inorganic chemistry, 64.0, 10549-10557 (2025).
  29. Khan, Sovann; Staykov, Aleksandar; Matsuda, Junko; Kluczny, Maksymilian; Wu, Kuan-Ting; Ninomiya, Kakeru; Nishibori, Maiko; Song, Jun Tae; Watanabe, Motonori; Inada, Miki;. Effects of Ce co-doping at the A site of Sm 0.5− x Sr 0.5 CoO 3±δ for a high-performance air electrode for solid oxide reversible cells. Journal of Materials Chemistry A, 13.0, 6620-6630 (2025).
  30. Wu, Tianhao; Raju, Telugu Bhim; Shang, Juan; Wu, Lifang; Song, Jun Tae; Senevirathne, Chathuranganie AM; Staykov, Aleksandar; Wang, Shenghao; Ida, Shintaro; Shibayama, Naoyuki;. Lattice Matching Anchoring of Hole‐Selective Molecule on Halide Perovskite Surfaces for n‐i‐p Solar Cells. Advanced Materials, 37.0, 2414576 (2025).
  31. Duijnstee, Daniël R; Tromp, Moniek; Browne, Wesley R; Staykov, Aleksandar;. Mobility of thiolates on Au (111) surfaces. Physical Chemistry Chemical Physics, 27.0, 4892-4904 (2025).
  32. Shang, Juan; Zhang, Ruiming; Gao, Ruizhe; Xing, Baihui; Staykov, Aleksandar; Hua, Zhengli; Kubota, Masanobu;. Evolution and mechanism of hydrogen gas embrittlement susceptibility for X80 pipeline steel within the service temperature range. Corrosion Science, 251.0, 112928 (2025).
  33. Koseki, Daichi; Senevirathne, Chathuranganie AM; Senba, Dai; Fujita, Yuki; Lin, Jun; Zhai, Mengde; Shang, Juan; Raju, Telugu Bhim; Ida, Shintaro; Watanabe, Motonori;. Elucidating the mechanism of perovskite surface passivation with organic molecules: The impact of π-conjugation length. Journal of Materials Chemistry A, 13.0, 17783-17798 (2025).
  34. Nakashima, Naotoshi; Nonoguchi, Yoshiyuki; Staykov, Aleksandar;. Supramolecular-Based One-Pot Separation of Highly Pure Adsorbent-Free Semiconducting Single-Walled Carbon Nanotubes and Machine Learning-Based Nanotube Solubilization. Accounts of Materials Research, 5.0, 958-970 (2024).
  35. Naufal, Farrel Dzaudan; Afifah, Hasna; Wirmas, Marleni; Agusta, Mohammad Kemal; Saputro, Adhitya Gandaryus; Yudistira, Hadi Teguh; Staykov, Aleksandar; Yoshizawa, Kazunari; Mahyuddin, Muhammad Haris;. Rutile-type metal dioxide (110) surfaces for the cyclic oxidation of methane to methanol. Materials Advances, 5.0, 8961-8969 (2024).
  36. Shang, Juan; Chi, Shuanghe; Gao, Ruizhe; Xing, Baihui; Staykov, Aleksander; Hua, Zhengli;. Pressure dependence of CO2 effect on hydrogen-assisted fatigue crack growth in two pipeline steels. International Journal of Hydrogen Energy, 90.0, 842-852 (2024).
  37. Vijayvargia, K; Dadfarnia, M; Sofronis, P; Kubota, M; Staykov, A; Wada, K; Pugh, JA; Eason, TJ;. Three-dimensional constraint-based void-growth model for high temperature hydrogen attack. International Journal of Fracture, 243.0, 203-228 (2023).
  38. Nguyen, Linh Thi Hoai; Fukumoto, Yasuhide; Cesana, Pierluigi; Staykov, Aleksandar;. Fully Automatized Optimization of Ring-Opening Reactions in Lactone Derivatives via Two-Step Machine Learning. The Journal of Physical Chemistry A, 127.0, 10159-10170 (2023).
  39. Nguyen, Thi; Ishihara, Tatsumi; Kilner, John; Staykov, Aleksandar;. Effect of electronic interactions on oxide-ion mobility in solid electrolytes with a fluorite structure. The Journal of Physical Chemistry C, 127.0, 22437-22446 (2023).
  40. Wu, Kuan‐Ting; Matsuda, Junko; Staykov, Aleksandar; Ishihara, Tatsumi;. Crucial Role of Self‐Exsolved Heterostructured Cermet Nanoparticles in Highly Active Spinel Electrodes for CO2/H2O Co‐Electrolysis. Advanced Energy Materials, 13.0, 2301042 (2023).
  41. Kluczny, Maksymilian; Nguyen, Thi; Song, Jun Tae; Watanabe, Motonori; Takagaki, Atsushi; Staykov, Aleksandar; Ishihara, Tatsumi;. Oxide ion conductivity in doped bismuth gallate mullite type oxide, Bi2Ga4O9. Solid State Ionics, 401.0, 116343 (2023).
  42. Vaishnav, Anant; Fujikawa, Shigenori; Staykov, Aleksandar;. Curvature Effect in Polydimethylsiloxane Interaction with CO2. Insights from Theory. The Journal of Physical Chemistry A, 127.0, 876-885 (2023).
  43. Dimov, Nikolay; Staykov, Aleksandar; Kusdhany‬, ‪ Muhammad Irfan Maulana; Lyth, Stephen M;. Tailoring the work function of graphene via defects, nitrogen-doping and hydrogenation: A first principles study. Nanotechnology, 34.0, 415001 (2023).
  44. Ishihara, Tatsumi; Inoishi, Yuiko; Kim, Sun; Staykov, Aleksandar; Watanabe, Motonori; Naohara, Nao; Takahashi, Kimiko; Itoh, Takashi;. Controlled Solvation Structure of a Zn Ion in an Aqueous Electrolyte by Amine Additives for Long Cycle Life of a Large Capacity Zn-Air Rechargeable Battery. The Journal of Physical Chemistry C, 127.0, 6619-6628 (2023).
  45. Lawley, Craig; Arab, Arian; Hartl, Anna; Staykov, Aleksandar; Döbeli, Max; Schmitt, Thorsten; Pergolesi, Daniele; Lippert, Thomas; Strocov, Vladimir N;. Momentum-resolved electronic structure of LaTiO2N photocatalysts by resonant Soft-X-ray ARPES. Communications Materials, 4.0, 15 (2023).
  46. Ganesan, Pandian; Ishihara, Akimitsu; Staykov, Aleksandar; Nakashima, Naotoshi;. Recent advances in nanocarbon-based nonprecious metal catalysts for oxygen/hydrogen reduction/evolution reactions and Zn-air battery. Bulletin of the Chemical Society of Japan, 96.0, 429-443 (2023).
  47. Ishimaru, Wataru; Kim, Chaerin; Toshimitsu, Fumiyuki; Staykov, Aleksandar; Nakashima, Naotoshi;. One-pot separation of semiconducting single-walled carbon nanotubes and their enantiomer recognition based on self-organized supramolecular riboflavin (vitamin B2) motifs. The Journal of Physical Chemistry C, 126.0, 9909-9917 (2022).
  48. Sun, Mingxu; Staykov, Aleksandar; Yamauchi, Miho;. Understanding the roles of hydroxide in CO2 electroreduction on a Cu electrode for achieving variable selectivity. ACS Catalysis, 12.0, 14856-14863 (2022).
  49. Fujisaki, Takaya; Ikeda, Kei; Staykov, Aleksandar Tsekov; Setiawan, Hendrik; Shiratori, Yusuke;. Density functional theory analysis for H 2 S adsorption on pyridinic N-and oxidized N-doped graphenes. RSC advances, 12.0, 19955-19964 (2022).
  50. Ganesan, Pandian; Staykov, Aleksandar; Mufundirwa, Albert; Sugiyama, Takeharu; Shu, Hiroaki; Uejima, Mitsugu; Nakashima, Naotoshi;. Designing a nickel (ii) thiourea-formaldehyde polymer/nanocarbon bifunctional molecular catalyst with superior ORR, OER activities and its application to Zn–air battery. Materials Advances, 3.0, 6539-6548 (2022).
  51. Nakagawa, Yasuto; Yu, Boda; Niidome, Yoshiaki; Hayashi, Keita; Staykov, Aleksandar; Yamada, Miku; Nakashima, Takuya; Kawai, Tsuyoshi; Fujigaya, Tsuyohiko; Shiraki, Tomohiro;. Photoisomerization of covalently attached diarylethene on locally functionalized single-walled carbon nanotubes for photoinduced wavelength switching of near-infrared photoluminescence. The Journal of Physical Chemistry C, 126.0, 10478-10486 (2022).
  52. Chapman, Andrew; Ertekin, Elif; Kubota, Masanobu; Nagao, Akihide; Bertsch, Kaila; Macadre, Arnaud; Tsuchiyama, Toshihiro; Masamura, Takuro; Takaki, Setsuo; Komoda, Ryosuke;. Achieving a carbon neutral future through advanced functional materials and technologies. Bulletin of the Chemical Society of Japan, 95.0, 73-103 (2022).
  53. Fujisaki, Takaya; Hinata, Keisuke; Iguchi, Fumitada; Dimov, Nikolay; Staykov, Aleksandar Tsekov; Matsumoto, Hiroshige;. Understanding the difference in bulk modulus between Y-doped SrCeO3 and Y-doped SrZrO3 by ultrasonic transmission method and density functional theory. Materialia, 26.0, 101616 (2022).
  54. Staykov, Aleksandar; Nguyen, Thi; Akbay, Taner; Ishihara, Tatsumi;. Oxygen reduction reaction and electronic properties of LnO-terminated surfaces of Pr2NiO4 and La2NiO4. The Journal of Physical Chemistry C, 126.0, 7390-7399 (2022).
  55. Kitano, Sho; Noguchi, Tomohiro G; Nishihara, Masamichi; Kamitani, Kazutaka; Sugiyama, Takeharu; Yoshioka, Satoru; Miwa, Tetsuya; Yoshizawa, Kazunari; Staykov, Aleksandar; Yamauchi, Miho;. Heterointerface created on Au‐cluster‐loaded unilamellar hydroxide electrocatalysts as a highly active site for the oxygen evolution reaction. Advanced Materials, 34.0, 2110552 (2022).
  56. Packwood, Daniel; Nguyen, Linh Thi Hoai; Cesana, Pierluigi; Zhang, Guoxi; Staykov, Aleksandar; Fukumoto, Yasuhide; Nguyen, Dinh Hoa;. Machine learning in materials chemistry: an invitation. Machine Learning with Applications, 8.0, 100265 (2022).
  57. Komoda, Ryosuke; Kubota, Masanobu; Staykov, Aleksandar; Ginet, Patrick; Barbier, Francoise; Furtado, Jader; Prost, Laurent; Nagao, Akihide;. Effect of gas pressure on hydrogen environment embrittlement of carbon steel A106 in carbon monoxide mixed hydrogen gas. Metallurgical and Materials Transactions A, 53.0, 74-85 (2022).
  58. Zhao, Yao; Kilner, John; Ishihara, Tatsumi; Yoshizawa, Kazunari; Staykov, Aleksandar;. Effect of electronic interactions and coordination spheres on ionic diffusion in LaxSr1-xGayMg1-yO3-δ. Journal of Physics and Chemistry of Solids, 161.0, 110393 (2022).
  59. Zhang, Nan; Komoda, Ryosuke; Yamada, Kazuki; Kubota, Masanobu; Staykov, Aleksandar;. Ammonia mitigation and induction effects on hydrogen environment embrittlement of SCM440 low-alloy steel. International Journal of Hydrogen Energy, 47.0, 15084-15093 (2022).
  60. Isegawa, Miho; Staykov, Aleksandar; Yamauchi, Miho;. Proton-coupled electron transfer in electrochemical alanine formation from pyruvic acid: mechanism of catalytic reaction at the interface between TiO2 (101) and water. The Journal of Physical Chemistry C, 125.0, 12603-12613 (2021).
  61. Tanaka, Naoki; Hamasuna, Aoi; Uchida, Takuto; Yamaguchi, Ryohei; Ishii, Taiki; Staylkov, Aleksandar; Fujigaya, Tsuyohiko;. Electron doping of single-walled carbon nanotubes using pyridine-boryl radicals. Chemical Communications, 57.0, 6019-6022 (2021).
  62. Kim, Yoonyoung; Watanabe, Motonori; Matsuda, Junko; Song, Jun Tae; Takagaki, Atsushi; Staykov, Aleksandar; Ishihara, Tatsumi;. Tensile strain for band engineering of SrTiO3 for increasing photocatalytic activity to water splitting. Applied Catalysis B: Environmental, 278.0, 119292 (2020).
  63. Ganesan, Pandian; Staykov, Aleksandar; Shu, Hiroaki; Uejima, Mitsugu; Nakashima, Naotoshi;. Designing an FeIII-doped nickel sulfide/carbon nanotube hybrid catalyst for alkaline electrolyte membrane water electrolyzers and Zn–air battery performances. ACS Applied Energy Materials, 3.0, 10961-10975 (2020).
  64. Staykov, Aleksandar; Toshimitsu, Fumiyuki; Hashimoto, Wataru; Nakashima, Naotoshi;. A flavin-Cu 2+ supramolecular complex for highly selective sorting of semiconducting single-walled carbon nanotubes with specific chiralities. Chemical Communications, 56.0, 12415-12418 (2020).
  65. Mahyuddin, Muhammad Haris; Staykov, Aleksandar; Saputro, Adhitya Gandaryus; Agusta, Mohammad Kemal; Dipojono, Hermawan Kresno; Yoshizawa, Kazunari;. Novel mechanistic insights into methane activation over Fe and Cu active sites in zeolites: A comparative DFT study using meta-GGA functionals. The Journal of Physical Chemistry C, 124.0, 18112-18125 (2020).
  66. Kim, Yoonyoung; Watanabe, Motonori; Matsuda, Junko; Staykov, Aleksandar; Kusaba, Hajime; Takagaki, Atsushi; Akbay, Taner; Ishihara, Tatsumi;. Chemo-mechanical strain effects on band engineering of the TiO 2 photocatalyst for increasing the water splitting activity. Journal of Materials Chemistry A, 8.0, 1335-1346 (2020).
  67. Nakashima, Naotoshi; Fukuzawa, Masashi; Nishimura, Kanako; Fujigaya, Tsuyohiko; Kato, Yuichi; Staykov, Aleksandar;. Supramolecular chemistry-based one-pot high-efficiency separation of solubilizer-free pure semiconducting single-walled carbon nanotubes: Molecular strategy and mechanism. Journal of the American Chemical Society, 142.0, 11847-11856 (2020).
  68. Sajith, PK; Staykov, Aleksandar; Yoshida, Masataka; Shiota, Yoshihito; Yoshizawa, Kazunari;. Theoretical study of the direct conversion of methane to methanol using H2O2 as an oxidant on Pd and Au/Pd surfaces. The Journal of Physical Chemistry C, 124.0, 13231-13239 (2020).
  69. Kee, Yongho; Put, Brecht; Dimov, Nikolay; Staykov, Aleksandar; Okada, Shigeto;. Effects of Mn‐Doping on the Structural and Electrochemical Properties of Na3Ni2SbO6 for Sodium‐Ion Battery.. Batteries & Supercaps, 3.0, 402-408 (2020).
  70. Hess, Franziska; Staykov, Aleksandar T; Yildiz, Bilge; Kilner, John;. Solid oxide fuel cell materials and interfaces. Handbook of Materials Modeling: Applications: Current and Emerging Materials, 1275-1305 (2020).
  71. Ikeda, Kei; Mahyuddin, Muhammad Haris; Shiota, Yoshihito; Staykov, Aleksandar; Matsumoto, Takahiro; Ogo, Seiji; Yoshizawa, Kazunari;. Computational Study on the Light-Induced Oxidation of Iridium–Aqua Complex to Iridium–Oxo Complex over WO3 (001) Surface. Inorganic chemistry, 59.0, 415-422 (2019).
  72. Staykov, Aleksandar; Komoda, Ryosuke; Kubota, Masanobu; Ginet, Patrick; Barbier, Françoise; Furtado, Jader;. Coadsorption of CO and H2 on an iron surface and its implication on the hydrogen embrittlement of iron. The Journal of Physical Chemistry C, 123.0, 30265-30273 (2019).
  73. Nakashima, Yuki; Yamaguchi, Ryohei; Toshimitsu, Fumiyuki; Matsumoto, Masamichi; Borah, Angana; Staykov, Aleksandar; Islam, Md Saidul; Hayami, Shinya; Fujigaya, Tsuyohiko;. Air-stable n-type single-walled carbon nanotubes doped with benzimidazole derivatives for thermoelectric conversion and their air-stable mechanism. ACS Applied Nano Materials, 2.0, 4703-4710 (2019).
  74. Ikeda, Kei; Hori, Yuta; Mahyuddin, Muhammad Haris; Shiota, Yoshihito; Staykov, Aleksandar; Matsumoto, Takahiro; Yoshizawa, Kazunari; Ogo, Seiji;. Dual Catalytic Cycle of H2 and H2O Oxidations by a Half-Sandwich Iridium Complex: A Theoretical Study. Inorganic chemistry, 58.0, 7274-7284 (2019).
  75. Fujisaki, Takaya; Staykov, Aleksandar Tsekov; Jing, Yuhang; Leonard, Kwati; Aluru, Narayana R; Matsumoto, Hiroshige;. Understanding the effect of Ce and Zr on chemical expansion in yttrium doped strontium cerate and zirconate by high temperature X-ray analysis and density functional theory. Solid State Ionics, 333.0, 8-Jan (2019).
  76. Komoda, Ryosuke; Kubota, Masanobu; Staykov, Aleksandar; Ginet, Patrick; Barbier, Francoise; Furtado, Jader;. Inhibitory effect of oxygen on hydrogen‐induced fracture of A333 pipe steel. Fatigue & Fracture of Engineering Materials & Structures, 42.0, 1387-1401 (2019).
  77. Staykov, Aleksandar; Ferreira‐Neto, Elias Paiva; Cruz, Jean Mina Ybarrena Santa; Ullah, Sajjad; Rodrigues‐Filho, Ubirajara Pereira;. The stability of titania‐silica interface. International Journal of Quantum Chemistry, 118.0, e25495 (2018).
  78. Mahyuddin, M Haris; Tanaka, Takahiro; Shiota, Yoshihito; Staykov, Aleksandar; Yoshizawa, Kazunari;. Methane partial oxidation over [Cu2 (μ-O)] 2+ and [Cu3 (μ-O) 3] 2+ active species in large-pore zeolites. ACS Catalysis, 8.0, 1500-1509 (2018).
  79. Staykov, Aleksandar; Tellez, Helena; Druce, John; Wu, Ji; Ishihara, Tatsumi; Kilner, John;. Electronic properties and surface reactivity of SrO-terminated SrTiO3 and SrO-terminated iron-doped SrTiO3. Science and Technology of advanced MaTerialS, 19.0, 221-230 (2018).
  80. Wu, Ji; Fujii, Kotaro; Yashima, Masatomo; Staykov, Aleksandar; Akbay, Taner; Ishihara, Tatsumi; Kilner, John A;. A systematic evaluation of the role of lanthanide elements in functional complex oxides; implications for energy conversion devices. Journal of Materials Chemistry A, 6.0, 11819-11829 (2018).
  81. Staykov, Aleksandar; Miwa, Tetsuya; Yoshizawa, Kazunari;. Aerobic oxidation of alkanes on icosahedron gold nanoparticle Au55. Journal of Catalysis, 364.0, 141-153 (2018).
  82. Mahyuddin, M Haris; Tanaka, Takahiro; Staykov, Aleksandar; Shiota, Yoshihito; Yoshizawa, Kazunari;. Dioxygen activation on Cu-MOR zeolite: theoretical insights into the formation of Cu2O and Cu3O3 active species. Inorganic chemistry, 57.0, 10146-10152 (2018).
  83. Mahyuddin, M Haris; Shiota, Yoshihito; Staykov, Aleksandar; Yoshizawa, Kazunari;. Theoretical overview of methane hydroxylation by copper–oxygen species in enzymatic and zeolitic catalysts. Accounts of Chemical Research, 51.0, 2382-2390 (2018).
  84. Staykov, Aleksandar; Fukumori, Shun; Yoshizawa, Kazunari; Sato, Kenta; Ishihara, Tatsumi; Kilner, John;. Interaction of SrO-terminated SrTiO 3 surface with oxygen, carbon dioxide, and water. Journal of Materials Chemistry A, 6.0, 22662-22672 (2018).
  85. Juhasz, Gergely; Staykov, Aleksandar;. Theoretical approach for nanocarbon-based energy catalyst design. Nanocarbons for energy conversion: supramolecular approaches, 159-174 (2018).
  86. Kearney, Kara; Iyer, Ashwathi; Rockett, Angus; Staykov, Aleksandar; Ertekin, Elif;. Multiscale computational design of functionalized photocathodes for H2 generation. Journal of the American Chemical Society, 140.0, 50-53 (2018).
  87. Fan, Yuchi; Ida, Shintaro; Staykov, Aleksandar; Akbay, Taner; Hagiwara, Hidehisa; Matsuda, Junko; Kaneko, Kenji; Ishihara, Tatsumi;. Ni‐Fe nitride nanoplates on nitrogen‐doped graphene as a synergistic catalyst for reversible oxygen evolution reaction and rechargeable Zn‐air battery. Small, 13.0, 1700099 (2017).
  88. Mahyuddin, M Haris; Shiota, Yoshihito; Staykov, Aleksandar; Yoshizawa, Kazunari;. Theoretical investigation of methane hydroxylation over isoelectronic [FeO] 2+-and [MnO]+-exchanged zeolites activated by N2O. Inorganic chemistry, 56.0, 10370-10380 (2017).
  89. Razavi-Khosroshahi, Hadi; Edalati, Kaveh; Wu, Ji; Nakashima, Yuki; Arita, Makoto; Ikoma, Yoshifumi; Sadakiyo, Masaaki; Inagaki, Yuji; Staykov, Aleksandar; Yamauchi, Miho;. High-pressure zinc oxide phase as visible-light-active photocatalyst with narrow band gap. Journal of Materials Chemistry A, 5.0, 20298-20303 (2017).
  90. Kearney, Kara; Iyer, Ashwathi; Rockett, Angus; Staykov, Aleksandar; Ertekin, Elif;. Effect of surface coverage and composition on the stability and interfacial dipole of functionalized silicon. The Journal of Physical Chemistry C, 121.0, 11312-11318 (2017).
  91. El-Nahas, Ahmed M; Staykov, Aleksandar; Yoshizawa, Kazunari;. Electrical conductance and diode-like behavior of substituted azulene. The Journal of Physical Chemistry C, 121.0, 2504-2511 (2017).
  92. Yoshimaru, Shotaro; Sadakiyo, Masaaki; Staykov, Aleksandar; Kato, Kenichi; Yamauchi, Miho;. Modulation of the catalytic activity of Pt nanoparticles through charge-transfer interactions with metal–organic frameworks. Chemical Communications, 53.0, 6720-6723 (2017).
  93. Mahyuddin, M Haris; Staykov, Aleksandar; Shiota, Yoshihito; Miyanishi, Mayuko; Yoshizawa, Kazunari;. Roles of zeolite confinement and Cu–O–Cu angle on the direct conversion of methane to methanol by [Cu2 (μ-O)] 2+-exchanged AEI, CHA, AFX, and MFI zeolites. Acs Catalysis, 7.0, 3741-3751 (2017).
  94. Kee, Yongho; Dimov, Nikolay; Staykov, Aleksandar; Okada, Shigeto;. Investigation of metastable Na2FeSiO4 as a cathode material for Na-ion secondary battery. Materials Chemistry and Physics, 171.0, 45-49 (2016).
  95. Emami, Hoda; Edalati, Kaveh; Staykov, Aleksandar; Hongo, Toshifumi; Iwaoka, Hideaki; Horita, Zenji; Akiba, Etsuo;. Solid-state reactions and hydrogen storage in magnesium mixed with various elements by high-pressure torsion: experiments and first-principles calculations. RSC advances, 6.0, 11665-11674 (2016).
  96. El-Nahas, Ahmed M; Staykov, Aleksandar; Yoshizawa, Kazunari;. First-principles calculations of electron transport through azulene. The Journal of Physical Chemistry C, 120.0, 9043-9052 (2016).
  97. Akbay, Taner; Staykov, Aleksandar; Druce, John; Téllez, Helena; Ishihara, Tatsumi; Kilner, John A;. The interaction of molecular oxygen on LaO terminated surfaces of La 2 NiO 4. Journal of Materials Chemistry A, 4.0, 13113-13124 (2016).
  98. Edalati, Kaveh; Matsuo, Motoaki; Emami, Hoda; Itano, Shota; Alhamidi, Ali; Staykov, Aleksandar; Smith, David J; Orimo, Shin-ichi; Akiba, Etsuo; Horita, Zenji;. Impact of severe plastic deformation on microstructure and hydrogen storage of titanium-iron-manganese intermetallics. Scripta Materialia, 124.0, 108-111 (2016).
  99. Staykov, Aleksandar; Derekar, Durgesh; Yamamura, Keisuke;. Oxygen dissociation on palladium and gold core/shell nanoparticles. International Journal of Quantum Chemistry, 116.0, 1486-1492 (2016).
  100. Staykov, Aleksandar; Lyth, Stephen M; Watanabe, Motonori;. Photocatalytic Water Splitting. Hydrogen Energy Engineering: A Japanese Perspective, 159-174 (2016).
  101. Selyanchyn, R; Staykov, A; Fujikawa, S;. Incorporation of CO 2 philic moieties into a TiO 2 nanomembrane for preferential CO 2 separation. RSC advances, 6.0, 88664-88667 (2016).
  102. Saravanan, Prabakaran; Selyanchyn, Roman; Tanaka, Hiroyoshi; Darekar, Durgesh; Staykov, Aleksandar; Fujikawa, Shigenori; Lyth, Stephen Matthew; Sugimura, Joichi;. Macroscale superlubricity of multilayer polyethylenimine/graphene oxide coatings in different gas environments. ACS Applied Materials & Interfaces, 8.0, 27179-27187 (2016).
  103. Miyoshi, Seiji; Akbay, Taner; Kurihara, Takuya; Fukuda, Taro; Staykov, Aleksandar Tsekov; Ida, Shintaro; Ishihara, Tatsumi;. Fast diffusivity of PF6–anions in graphitic carbon for a dual-carbon rechargeable battery with superior rate property. The Journal of Physical Chemistry C, 120.0, 22887-22894 (2016).
  104. Mahyuddin, M Haris; Staykov, Aleksandar; Shiota, Yoshihito; Yoshizawa, Kazunari;. Direct conversion of methane to methanol by metal-exchanged ZSM-5 zeolite (Metal= Fe, Co, Ni, Cu). Acs Catalysis, 6.0, 8321-8331 (2016).
  105. Kee, Yongho; Dimov, Nikolay; Staykov, Aleksandar; Okada, Shigeto;. Insight into Mg-doping effects on Na3Ni2SbO6 cathode host for Na-ion batteries. Materials Letters, 183.0, 187-190 (2016).
  106. Watanabe, Motonori; Doi, Yasutaka; Hagiwara, Hidehisa; Staykov, Aleksandar Tsekov; Ida, Shintaro; Matsumoto, Taisuke; Shinmyozu, Teruo; Ishihara, Tatsumi;. Synthesis and Investigation of the Effect of Substitution on the Structure, Physical Properties, and Electrochemical Properties of Anthracenodifuran Derivatives. The Journal of Organic Chemistry, 80.0, 9159-9166 (2015).
  107. Staykov, Aleksandar; Téllez, Helena; Akbay, Taner; Druce, John; Ishihara, Tatsumi; Kilner, John;. Oxygen activation and dissociation on transition metal free perovskite surfaces. Chemistry of Materials, 27.0, 8273-8281 (2015).
  108. Watanabe, Motonori; Hagiwara, Hidehisa; Ogata, Yudai; Staykov, Aleksandar; Bishop, Sean R; Perry, Nicola H; Chang, Yuan Jay; Ida, Shintaro; Tanaka, Keiji; Ishihara, Tatsumi;. Impact of alkoxy chain length on carbazole-based, visible light-driven, dye sensitized photocatalytic hydrogen production. Journal of Materials Chemistry A, 3.0, 21713-21721 (2015).
  109. Yongho Kee, Nikolay Dimov, Aleksandar Staikov, Prabeer Barpanda, Ying-Ching Lu, Keita Minamie, Shigeto Okada;. Insight into the limited electrochemical activity of NaVP2O7. RSC Advances, 5.0, 64991-64996 (2015).
  110. Daio, Takeshi; Staykov, Aleksandar; Guo, Limin; Liu, Jianfeng; Tanaka, Masaki; Matthew Lyth, Stephen; Sasaki, Kazunari;. Lattice strain mapping of platinum nanoparticles on carbon and SnO2 supports. Scientific reports, 5.0, 13126 (2015).
  111. Watanabe, Motonori; Chang, Yuan Jay; Chou, Po-Ting; Staykov, Aleksandar; Shibahara, Masahiko; Sako, Katsuya; Ishihara, Tatsumi; Chow, Tahsin J;. Synthesis and electronic properties of ferrocene-containing organic dyads. Tetrahedron Letters, 56.0, 1548-1551 (2015).
  112. Edalati, Kaveh; Emami, Hoda; Staykov, Aleksandar; Smith, David J; Akiba, Etsuo; Horita, Zenji;. Formation of metastable phases in magnesium–titanium system by high-pressure torsion and their hydrogen storage performance. Acta Materialia, 99.0, 150-156 (2015).
  113. Nishihara, Masamichi; Christiani, Liana; Staykov, Aleksandar; Sasaki, Kazunari;. Experimental and theoretical study of charge‐transfer complex hybrid polyimide membranes. Journal of Polymer Science Part B: Polymer Physics, 52.0, 293-298 (2014).
  114. Staykov, Aleksandar; Yamabe, Junichiro; Somerday, Brian P;. Effect of hydrogen gas impurities on the hydrogen dissociation on iron surface. International Journal of Quantum Chemistry, 114.0, 626-635 (2014).
  115. Staykov, Aleksandar; Ooishi, Yuuki; Ishihara, Tatsumi;. Immobilizing metal nanoparticles on single wall nanotubes. Effect of surface curvature. The Journal of Physical Chemistry C, 118.0, 8907-8916 (2014).
  116. Watanabe, Motonori; Hagiwara, Hidehisa; Iribe, Aoi; Ogata, Yudai; Shiomi, Kenta; Staykov, Aleksandar; Ida, Shintaro; Tanaka, Keiji; Ishihara, Tatsumi;. Spacer effects in metal-free organic dyes for visible-light-driven dye-sensitized photocatalytic hydrogen production. Journal of Materials Chemistry A, 2.0, 12952-12961 (2014).
  117. Staykov, Aleksandar; Watanabe, Motonori; Ishihara, Tatsumi; Yoshizawa, Kazunari;. Photoswitching of conductance through salicylidene methylamine. The Journal of Physical Chemistry C, 118.0, 27539-27548 (2014).
  118. Staykov, Aleksandar; Tzenov, Petar;. Current Rectification in Mono-and Bilayer Nanographenes with Different Edges. The Journal of Physical Chemistry C, 117.0, 13644-13653 (2013).
  119. Tsuji, Yuta; Staykov, Aleksandar; Yoshizawa, Kazunari;. Molecular Rectifier Based on π–π Stacked Charge Transfer Complex. The Journal of Physical Chemistry C, 116.0, 2575-2580 (2012).
  120. Staykov, Aleksandar; Nishimi, Tomonori; Yoshizawa, Kazunari; Ishihara, Tatsumi;. Oxygen activation on nanometer-size gold nanoparticles. The Journal of Physical Chemistry C, 116.0, 15992-16000 (2012).
  121. Li, Xinqian; Staykov, Aleksandar; Yoshizawa, Kazunari;. Orbital views on electron-transport properties of cyclophanes: insight into intermolecular transport. Bulletin of the Chemical Society of Japan, 85.0, 181-188 (2012).
  122. Staykov, Aleksandar; Li, Xinqian; Tsuji, Yuta; Yoshizawa, Kazunari;. Current rectification in nitrogen-and boron-doped nanographenes and cyclophanes. The Journal of Physical Chemistry C, 116.0, 18451-18459 (2012).
  123. Tsuji, Yuta; Staykov, Aleksandar; Yoshizawa, Kazunari;. Orbital determining Spintronic properties of a π-conjugated system. The Journal of Physical Chemistry C, 116.0, 16325-16332 (2012).
  124. Staykov, Aleksandar; Tsuji, Yuta; Yoshizawa, Kazunari;. Conductance through short DNA molecules. The Journal of Physical Chemistry C, 115.0, 3481-3490 (2011).
  125. Li, Xinqian; Staykov, Aleksandar; Yoshizawa, Kazunari;. Orbital views of the electron transport through heterocyclic aromatic hydrocarbons. Theoretical Chemistry Accounts, 130.0, 765-774 (2011).
  126. Fukazawa, Aiko; Kiguchi, Manabu; Tange, Satoshi; Ichihashi, Yasunori; Zhao, Qiang; Takahashi, Takuya; Konishi, Tatsuya; Murakoshi, Kei; Tsuji, Yuta; Staykov, Aleksandar;. Phosphine sulfides as an anchor unit for single molecule junctions. Chemistry Letters, 40.0, 174-176 (2011).
  127. Li, Jun; Staykov, Aleksandar; Ishihara, Tatsumi; Yoshizawa, Kazunari;. Theoretical study of the decomposition and hydrogenation of H2O2 on Pd and Au@ Pd surfaces: understanding toward high selectivity of H2O2 synthesis. The Journal of Physical Chemistry C, 115.0, 7392-7398 (2011).
  128. Staykov, Aleksandar; Areephong, Jetsuda; Browne, Wesley R; Feringa, Ben L; Yoshizawa, Kazunari;. Electrochemical and photochemical cyclization and cycloreversion of diarylethenes and diarylethene-capped sexithiophene wires. ACS nano, 5.0, 1165-1178 (2011).
  129. Tsuji, Yuta; Staykov, Aleksandar; Yoshizawa, Kazunari;. Orbital views of molecular conductance perturbed by anchor units. Journal of the American Chemical Society, 133.0, 5955-5965 (2011).
  130. Li, Xinqian; Staykov, Aleksandar; Yoshizawa, Kazunari;. Orbital views of the electron transport through polycyclic aromatic hydrocarbons with different molecular sizes and edge type structures. The Journal of Physical Chemistry C, 114.0, 9997-10003 (2010).
  131. Dietz, F; Staykov, A; Müllen, K; Tyutyulkov, N;. Energy Spectra and Electric and Magnetic Properties of One-Dimensional Stacks of Conjugated π-Electron Systems with Defect Surface States. II. π-Systems with Schottky and Chemisorption Surface States. The Journal of Physical Chemistry C, 114.0, 13678-13684 (2010).
  132. Tsuji, Yuta; Staykov, Aleksandar; Yoshizawa, Kazunari;. Orbital control of the conductance photoswitching in diarylethene. The Journal of Physical Chemistry C, 113.0, 21477-21483 (2009).
  133. Staykov, Aleksandar; Yoshizawa, Kazunari;. Photochemical reversibility of ring-closing and ring-opening reactions in diarylperfluorocyclopentenes. The Journal of Physical Chemistry C, 113.0, 3826-3834 (2009).
  134. Tsuji, Yuta; Staykov, Aleksandar; Yoshizawa, Kazunari;. Orbital view concept applied on photoswitching systems. Thin Solid Films, 518.0, 444-447 (2009).
  135. Staykov, Aleksandar; Kamachi, Takashi; Ishihara, Tatsumi; Yoshizawa, Kazunari;. Theoretical study of the direct synthesis of H2O2 on Pd and Pd/Au surfaces. The Journal of Physical Chemistry C, 112.0, 19501-19505 (2008).
  136. Tyutyulkov, N; Drebov, N; Müllen, Klaus; Staykov, A; Dietz, F;. Energy Spectra and Electric and Magnetic Properties of 1D Stacks of Conjugated π-Electron Systems with Defect Surface States. I. π Systems with Tamm Surface States. The Journal of Physical Chemistry C, 112.0, 6232-6239 (2008).
  137. Yoshizawa, Kazunari; Tada, Tomofumi; Staykov, Aleksandar;. Orbital views of the electron transport in molecular devices. Journal of the American Chemical Society, 130.0, 9406-9413 (2008).
  138. Staykov, Aleksandar; Nozaki, Daijiro; Yoshizawa, Kazunari;. Theoretical study of donor− π-bridge− acceptor unimolecular electric rectifier. The Journal of Physical Chemistry C, 111.0, 11699-11705 (2007).
  139. Staykov, Aleksandar; Nozaki, Daijiro; Yoshizawa, Kazunari;. Photoswitching of conductivity through a diarylperfluorocyclopentene nanowire. The Journal of Physical Chemistry C, 111.0, 3517-3521 (2007).
  140. Tyutyulkov, N; Drebov, N; Staykov, A; Tadjer, A;. New class of Non‐Kekulé radical polymethines: Theoretical study. International Journal of Quantum Chemistry, 107.0, 1396-1404 (2007).
  141. Tyutyulkov, N; Ivanov, N; Müllen, Klaus; Staykov, A; Dietz, F;. Energy spectra of one-dimensional stacks of polycyclic aromatic hydrocarbons without defects. The Journal of Physical Chemistry B, 108.0, 4275-4282 (2004).
  142. Tyutyulkov, N; Staykov, A; Müllen, Klaus; Dietz, F;. Symmetry breaking of full face-to-face arrangement of homonuclear π-electron molecules in 1-D stacks. Chemical physics letters, 373.0, 314-318 (2003).
  143. Dietz, F; Staykov, A; Karabunarliev, S; Tyutyulkov, N;. Photoswitching of the magnetic properties of one-dimensional π-electron systems: III. Photochromic polymers with polymethine radicals in the elementary units. Journal of Photochemistry and Photobiology A: Chemistry, 155.0, 21-27 (2003).
  144. Staykov, Aleksandar; Gehrgel, Lileta; Dietz, Fritz; Tyutyulkov, Nikolai;. Is 2-D graphite an ultimate large hydrocarbon? Iv. Structure and energy spectra of large polycyclic aromatic hydrocarbons with different symmetry. Zeitschrift für Naturforschung B, 58.0, 965-970 (2003).
  145. Tyutyulkov, Nikolai; Staykov, Alexander; Müllen, Klaus; Dietz, Fritz;. Magnetic Properties of Langmuir− Blodgett Films: A Theoretical Study. 1. Photoswitching of the Magnetic Properties of Langmuir Films. Langmuir, 18.0, 10030-10034 (2002).