Session Details
[[C]C204-3am]03. Physical Chemistry -Structure-
Fri. Mar 28, 2025 9:00 AM - 11:20 AM JST
Fri. Mar 28, 2025 12:00 AM - 2:20 AM UTC
Fri. Mar 28, 2025 12:00 AM - 2:20 AM UTC
[C]C204(C204, Bldg. 2, Area 2 [2F])
Chair: Ryohei Kishi, Takashi Yumura, Masaki Itatani
[[C]C204-3am-01]Theoretical study on dynamic (hyper)polarizabilities of fused-ring π-conjugated molecular systems with weak open-shell characters
○Tomoki Harada1, Ryohei Kishi1,2,3, Ryota Sugimori1, Kohei Tada1, Kitagawa Yasutaka1,2,3,4 (1. Graduate School of Osaka University of Engineering Science, 2. QIQB of Osaka University, 3. ICS-OTRI of Osaka University, 4. OTRI-Spin of Osaka University)
[[C]C204-3am-02]Quantum chemical calculations of gallylene bearing a phenalenyl-based ligand
○Manaya Kawasaki1, Ryohei Kishi1,2,3, Nijito Mukai4, Takuya Kodama3,4, Mamoru Tobisu3,4, Kohei Tada1, Yasutaka Kitagawa1,2,3,5 (1. Grad. Sch. Eng. Sci., Osaka Univ., 2. QIQB, Osaka Univ., 3. ICS-OTRI, Osaka Univ., 4. Grad. Sch. Eng., Osaka Univ., 5. OTRI-Spin, Osaka Univ.)
[[C]C204-3am-03]Theoretical investigation on the electronic and geometric structures of Li-inserted trioxotriangulen crystals by ab initio band calculations
○Yukichika Kitano1, Kohei Tada1, Takasi Kawakami1, Ryohei Kishi1, Yasutaka Kitagawa1 (1. OsakaUniversity)
[[C]C204-3am-04]Density Functional Theory Study on Magnetic Properties and Electronic States of Surface-Adsorbed Yttrium(Ⅲ) Double-decker Phthalocyanine Complexes
○Rikuya Hirota1, Kohei Tada2, Keiichi Katoh3, Ryohei Kishi2,4,5,6, Yasutaka Kitagawa2,4,5,6,7 (1. Faculty of Engineering Science, Osaka University, 2. Graduate School of Engineering Science, Osaka University, 3. Department of Science, Josai University, 4. QIQB, Osaka University, 5. ICS-OTRI, Osaka University, 6. RCSEC, Osaka University, 7. CSRN, Osaka University)
[[C]C204-3am-05]Three-dimensional Structural Analysis of Sub-Nanoparticles Combining Transmission Electron Microscopy andComputational Chemistry
○Takuma Harada1, Noa Naiki1, Masataka Yoshida1, Takane Imaoka1, Kimihisa Yamamoto1 (1. Institute of Science Tokyo)
[[C]C204-3am-06]Density functional theory Calculations on the Formation of Mechanically Interlocked Carbon Nanotubes
○Shuji Nagata1, Kazuma Takahata1, Takashi Yumura1 (1. Kyoto Institute of Technology)
Break
[[C]C204-3am-07]Reaction characteristics of formate intermediates on Zn/Cu(111)
○Ayumu Sakurai1, Tetta Takeuchi1, Kotaro Takeyasu2, Junji Nakamura3, Takahiro Kondo1 (1. University of Tsukuba, 2. Hokkaido University, 3. Kyushu University)
[[C]C204-3am-08]In situ Spectroscopic Investigation of Electrochemical CO2 Reduction Reaction on Cu/M Surface Alloy Nanocubes (M=Pd, Pt, Ir)
○Hirokazu Kobayashi1, Takahiro Matsuu2, Mahiru Umeno2, Sachie Hikino1, Tomohiro Noguchi3, Masaki Donoshita3, Miho Yamauchi1,2,3,4,5 (1. K-NETs, Kyushu Univ., 2. Dep. Chem., Sch. Sci., Kyushu Univ., 3. IMCE, Kyushu Univ., 4. WPI-I2CNER, Kyushu Univ., 5. WPI-AIMR, Tohoku Univ.)
[[C]C204-3am-09]Effects of isolated chemical structures at solid/liquid interface on surrounding interfacial structures investigated by three-dimensional scanning atomic force microscopy
○Yuki Tanimoto1, Kodai Tanigawa2, Masayuki Morimoto3, Hitoshi Asakawa1,2,3,4 (1. College of Science and Engineering, Kanazawa Univ., 2. Graduate School of Natural Science and Technology, Kanazawa Univ., 3. Nanomaterials Research Institute, Kanazawa Univ., 4. WPI Nano Life Science Institute, Kanazawa Univ.)
[[C]C204-3am-10]In-situ XAFS imaging of Ga-supported zeolite catalyst particle for propane dehydrogenation
○Shinya Fukuchi1, Maika Tanaka1, Hirosuke Matsui1, Tomoya Uruga2, Mizuki Tada1,3 (1. Dept. Chem., Grad. Sch. Sci., Nagoya Univ., 2. JASRI/SPring-8, 3. RCMS. Nagoya Univ.)
[[C]C204-3am-11]Mechanical Switching of Thermopower of Single-Molecule Junctions
○Haruki Goto1, Shintaro Fujii1, Tomoaki Nishino1 (1. Institute of Science Tokyo)
[[C]C204-3am-12]Optimization of the optical properties and electrode functionality of Au thin film for surface-enhanced absorption infrared spectroscopy
○Haruka Tokuda1, Tomohiro Fukushima2,3, Masaki Itatani2, Kei Murakoshi2 (1. Faculty of Science, Department of Chemistry, Hokkaido University, 2. Faculty of Science, Hokkaido University, 3. JST-PRESTO)