Yoshiyuki Kawazoe

Research interests

Publications

• High-Throughput Computational Screening of Two-Dimensional Semiconductors

  The Journal of Physical Chemistry Letters · 2022 · https://doi.org/10.1021/acs.jpclett.2c02972

• Moving beyond bimetallic-alloy to single-atom dimer atomic-interface for all-pH hydrogen evolution

  Nature Communications · 2021 · https://doi.org/10.1038/s41467-021-27145-3

• Modulating Interfacial Charge Density of NiP 2 –FeP 2 via Coupling with Metallic Cu for Accelerating Alkaline Hydrogen Evolution

  ACS Energy Letters · 2021 · https://doi.org/10.1021/acsenergylett.0c02498

• Large-gap two-dimensional topological insulator in oxygen functionalized MXene

  Physical Review B · 2015 · https://doi.org/10.1103/physrevb.92.075436

• Topological node-line semimetal in three-dimensional graphene networks

  Physical Review B · 2015 · https://doi.org/10.1103/physrevb.92.045108

• Penta-graphene: A new carbon allotrope

  Proceedings of the National Academy of Sciences · 2015 · https://doi.org/10.1073/pnas.1416591112

• Exfoliating biocompatible ferromagnetic Cr-trihalide monolayers

  Physical Chemistry Chemical Physics · 2015 · https://doi.org/10.1039/c5cp04835d

• Structures and Phase Transition of a MoS 2 Monolayer

  The Journal of Physical Chemistry C · 2014 · https://doi.org/10.1021/jp4076355

• Novel Electronic and Magnetic Properties of Two‐Dimensional Transition Metal Carbides and Nitrides

  Advanced Functional Materials · 2012 · https://doi.org/10.1002/adfm.201202502

• Low-Temperature Phase Transformation from Graphite to s p 3 Orthorhombic Carbon

  Physical Review Letters · 2011 · https://doi.org/10.1103/physrevlett.106.075501

• Potential of AlN Nanostructures as Hydrogen Storage Materials

  ACS Nano · 2009 · https://doi.org/10.1021/nn800815e

• Ferromagnetism in Semihydrogenated Graphene Sheet

  Nano Letters · 2009 · https://doi.org/10.1021/nl9020733

• A theoretical study on the interaction of aromatic amino acids with graphene and single walled carbon nanotube

  The Journal of Chemical Physics · 2009 · https://doi.org/10.1063/1.3079096

• Vacancy-induced magnetism in ZnO thin films and nanowires

  Physical Review B · 2008 · https://doi.org/10.1103/physrevb.77.205411

• Highly controlled acetylene accommodation in a metal–organic microporous material

  Nature · 2005 · https://doi.org/10.1038/nature03852

• First Principles Based Design and Experimental Evidence for a ZnO-Based Ferromagnet at Room Temperature

  Physical Review Letters · 2005 · https://doi.org/10.1103/physrevlett.94.187204

• Clustering of Ti on a C 60 Surface and Its Effect on Hydrogen Storage

  Journal of the American Chemical Society · 2005 · https://doi.org/10.1021/ja0550125

• Hysteretic current–voltage characteristics and resistance switching at an epitaxial oxide Schottky junction SrRuO3∕SrTi0.99Nb0.01O3

  Applied Physics Letters · 2004 · https://doi.org/10.1063/1.1845598

• Ultra-stable nanoparticles of CdSe revealed from mass spectrometry

  Nature Materials · 2004 · https://doi.org/10.1038/nmat1056

• Stable geometries and magnetic properties of single-walled carbon nanotubes doped with 3d transition metals: A first-principles study

  Physical Review B · 2004 · https://doi.org/10.1103/physrevb.69.075414

• Cluster expansion method for adsorption: Application to hydrogen chemisorption on graphene

  Physical review. B, Condensed matter · 2003 · https://doi.org/10.1103/physrevb.68.085410

• Metal-Encapsulated Fullerenelike and Cubic Caged Clusters of Silicon

  Physical Review Letters · 2001 · https://doi.org/10.1103/physrevlett.87.045503

• Origin of Anomalous Lattice Expansion in Oxide Nanoparticles

  Physical Review Letters · 2000 · https://doi.org/10.1103/physrevlett.85.3440

• First-Principles Determination of the Soft Mode in Cubic ZrO 2

  Physical Review Letters · 1997 · https://doi.org/10.1103/physrevlett.78.4063

• Intramolecular structures of C60 molecules adsorbed on the Cu(111)-(1×1) surface

  Physical Review Letters · 1993 · https://doi.org/10.1103/physrevlett.71.2959

Current projects

No projects listed.