List of works - Minoru Otani

A method of orbital analysis for large-scale first-principles simulations

scientific article published on 01 June 2014

Biased interface between solid ion conductor LiBH4 and lithium metal: A first principles molecular dynamics study

article

Charge manipulation in molecules encapsulated inside single-wall carbon nanotubes

scientific article published on 19 February 2013

Effect of thermal motion on catalytic activity of nanoparticles in polar solvent

scientific article published on 01 January 2014

First-principles molecular dynamics at a constant electrode potential.

scientific article published on 26 December 2012

Flexible metallic nanowires with self-adaptive contacts to semiconducting transition-metal dichalcogenide monolayers

scientific article published on 28 April 2014

Gate-induced electron-state tuning of MoS2: first-principles calculations

scientific article published on 06 March 2014

Highly ordered cobalt-phthalocyanine chains on fractional atomic steps: one-dimensionality and electron hybridization

scientific article published on 31 December 2012

Influence of disorder on conductance in bilayer graphene under perpendicular electric field

scientific article published on 01 October 2010

Intrinsic magnetic moment on (0001) surfaces of rhombohedral graphite

scholarly article in Physical Review B, vol. 81 no. 16, April 2010

Large-scale first-principles molecular dynamics for electrochemical systems with O(N) methods

scientific article published on 01 April 2012

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.

scientific article published on 14 March 2018

Mechanisms of diffusion of boron impurities in SiO2

scientific article published on 21 February 2003

Negative dielectric constant of water confined in nanosheets

scientific article published on 20 February 2019

Optical band gap modification of single-walled carbon nanotubes by encapsulated fullerenes.

scientific article published in March 2008

Origins and Implications of Interfacial Capacitance Enhancements in C60-Modified Graphene Supercapacitors

scientific article published on 22 October 2018

Phase control of magnetic state of graphite thin films by electric field

Poly(benzoquinonyl sulfide) as a High-Energy Organic Cathode for Rechargeable Li and Na Batteries

scientific article published on 08 June 2015

Potential-induced electronic structure changes in supercapacitor electrodes observed by in operando soft X-ray spectroscopy.

scientific article published on 15 December 2014

Reversible redox reaction and water configuration on a positively charged platinum surface: first principles molecular dynamics simulation

scientific article published on 12 October 2011

Semiconducting electronic property of graphene adsorbed on (0001) surfaces of SiO2

scientific article published on 07 March 2011

Specific ion effects at graphitic interfaces

scientific article published on 24 October 2019

Structure of the water/platinum interface--a first principles simulation under bias potential

scientific article

Toward full simulation of the electrochemical oxygen reduction reaction on Pt using first-principles and kinetic calculations

scientific article published on 25 January 2017

Towards Engineering of Solution Microenvironments for the CO2 Reduction Reaction: Unraveling pH and Voltage Effects from a Combined Density-Functional-Continuum Theory

scientific article published on 28 April 2020

Two-Phase Reaction Mechanism for Fluorination and Defluorination in Fluoride-Shuttle Batteries: A First-Principles Study

scientific article published on 27 December 2019

List of works by Minoru Otani