Publications by authors named "Minoru Otani"

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Kinetic Suppression of Anion Intercalation into Cathode Conductive Carbon in High-Voltage Lithium Batteries.
Kou Nakamura, Norio Takenaka, Satoshi Hagiwara, Minoru Otani, Atsuo Yamada

ACS Appl Mater Interfaces· November 2025

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Electrocatalytic Mechanisms for an Oxygen Evolution Reaction at a Rhombohedral Boron Monosulfide Electrode/Alkaline Medium Interface.
Satoshi Hagiwara, Fumiaki Kuroda, Takahiro Kondo, Minoru Otani

ACS Appl Mater Interfaces· November 2023

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A Combined Reaction Path Search and Hybrid Solvation Method for the Systematic Exploration of Elementary Reactions at the Solid-Liquid Interface.
Taisuke Hasegawa, Satoshi Hagiwara, Minoru Otani, Satoshi Maeda

J Phys Chem Lett· October 2023

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First-Principles Investigation of Charged Germagraphene as a Cathode Material for Dual-Carbon Batteries.
Burcu Yilmaz, Minoru Otani, Tatsumi Ishihara, Taner Akbay

ChemSusChem· February 2023

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Theoretical Analysis on the Stability of 1-Pyrenebutanoic Acid Succinimidyl Ester Adsorbed on Graphene.
Yasuhiro Oishi, Hirotsugu Ogi, Satoshi Hagiwara, Minoru Otani, Koichi Kusakabe

ACS Omega· September 2022

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Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms.
Alex M Maldonado, Satoshi Hagiwara, Tae Hoon Choi, Frank Eckert, Kathleen Schwarz, Minoru Otani

J Phys Chem A· January 2021

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Toward Engineering of Solution Microenvironments for the CO Reduction Reaction: Unraveling pH and Voltage Effects from a Combined Density-Functional-Continuum Theory.
Stephen E Weitzner, Sneha A Akhade, Joel B Varley, Brandon C Wood, Minoru Otani

J Phys Chem Lett· May 2020

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Two-Phase Reaction Mechanism for Fluorination and Defluorination in Fluoride-Shuttle Batteries: A First-Principles Study.
Jun Haruyama, Ken-Ichi Okazaki, Yoshiyuki Morita, Hirofumi Nakamoto, Eiichiro Matsubara, Minoru Otani

ACS Appl Mater Interfaces· January 2020

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Specific ion effects at graphitic interfaces.
Cheng Zhan, Maira R Cerón, Steven A Hawks, Minoru Otani, Brandon C Wood

Nat Commun· October 2019

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Negative dielectric constant of water confined in nanosheets.
Akira Sugahara, Yasunobu Ando, Satoshi Kajiyama, Koji Yazawa, Kazuma Gotoh, Minoru Otani

Nat Commun· February 2019

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Origins and Implications of Interfacial Capacitance Enhancements in C-Modified Graphene Supercapacitors.
Cheng Zhan, Tuan Anh Pham, Maira R Cerón, Patrick G Campbell, Vedasri Vedharathinam, Minoru Otani

ACS Appl Mater Interfaces· October 2018

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Li deposition and desolvation with electron transfer at a silicon/propylene-carbonate interface: transition-state and free-energy profiles by large-scale first-principles molecular dynamics.
Tsukuru Ohwaki, Taisuke Ozaki, Yukihiro Okuno, Tamio Ikeshoji, Hideto Imai, Minoru Otani

Phys Chem Chem Phys· May 2018

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Toward full simulation of the electrochemical oxygen reduction reaction on Pt using first-principles and kinetic calculations.
Tamio Ikeshoji, Minoru Otani

Phys Chem Chem Phys· February 2017

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Polyanthraquinone as a Reliable Organic Electrode for Stable and Fast Lithium Storage.
Zhiping Song, Yumin Qian, Mikhail L Gordin, Duihai Tang, Terrence Xu, Minoru Otani

Angew Chem Int Ed Engl· November 2015

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Poly(benzoquinonyl sulfide) as a High-Energy Organic Cathode for Rechargeable Li and Na Batteries.
Zhiping Song, Yumin Qian, Tao Zhang, Minoru Otani, Haoshen Zhou

Adv Sci (Weinh)· September 2015

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Potential-induced electronic structure changes in supercapacitor electrodes observed by in operando soft X-ray spectroscopy.
Michael Bagge-Hansen, Brandon C Wood, Tadashi Ogitsu, Trevor M Willey, Ich C Tran, Minoru Otani

Adv Mater· March 2015

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Flexible metallic nanowires with self-adaptive contacts to semiconducting transition-metal dichalcogenide monolayers.
Junhao Lin, Ovidiu Cretu, Wu Zhou, Kazu Suenaga, Dhiraj Prasai, Minoru Otani

Nat Nanotechnol· June 2014

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A method of orbital analysis for large-scale first-principles simulations.
Tsukuru Ohwaki, Minoru Otani, Taisuke Ozaki

J Chem Phys· June 2014

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Gate-induced electron-state tuning of MoS2: first-principles calculations.
Nguyen Thanh Cuong, Minoru Otani, Susumu Okada

J Phys Condens Matter· April 2014

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Effect of thermal motion on catalytic activity of nanoparticles in polar solvent.
Nicéphore Bonnet, Osamu Sugino, Minoru Otani

J Chem Phys· January 2014

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Highly ordered cobalt-phthalocyanine chains on fractional atomic steps: one-dimensionality and electron hybridization.
Yusuke Tanaka, Puneet Mishra, Ryusei Tateishi, Nguyen Thanh Cuong, Hideo Orita, Minoru Otani

ACS Nano· February 2013

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Charge manipulation in molecules encapsulated inside single-wall carbon nanotubes.
Kazuhiro Yanagi, Rieko Moriya, Nguyen Thanh Cuong, Minoru Otani, Susumu Okada

Phys Rev Lett· February 2013

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First-principles molecular dynamics at a constant electrode potential.
Nicéphore Bonnet, Tetsuya Morishita, Osamu Sugino, Minoru Otani

Phys Rev Lett· December 2012

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Large-scale first-principles molecular dynamics for electrochemical systems with O(N) methods.
Tsukuru Ohwaki, Minoru Otani, Tamio Ikeshoji, Taisuke Ozaki

J Chem Phys· April 2012

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Reversible redox reaction and water configuration on a positively charged platinum surface: first principles molecular dynamics simulation.
Tamio Ikeshoji, Minoru Otani, Ikutaro Hamada, Yasuharu Okamoto

Phys Chem Chem Phys· December 2011

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