| First-Principles Determination of the Soft Mode in Cubic K Parlinski, ZQ Li, Y Kawazoe Physical Review Letters 78 (21), 4063, 1997 | 2922 | 1997 |
| Novel electronic and magnetic properties of two‐dimensional transition metal carbides and nitrides M Khazaei, M Arai, T Sasaki, CY Chung, NS Venkataramanan, M Estili, ... Advanced Functional Materials 23 (17), 2185-2192, 2013 | 1666 | 2013 |
| Highly controlled acetylene accommodation in a metal–organic microporous material R Matsuda, R Kitaura, S Kitagawa, Y Kubota, RV Belosludov, ... Nature 436 (7048), 238-241, 2005 | 1506 | 2005 |
| Penta-graphene: A new carbon allotrope S Zhang, J Zhou, Q Wang, X Chen, Y Kawazoe, P Jena Proceedings of the National Academy of Sciences 112 (8), 2372-2377, 2015 | 1254 | 2015 |
| Ferromagnetism in semihydrogenated graphene sheet J Zhou, Q Wang, Q Sun, XS Chen, Y Kawazoe, P Jena Nano letters 9 (11), 3867-3870, 2009 | 951 | 2009 |
| Clustering of Ti on a C60 Surface and Its Effect on Hydrogen Storage Q Sun, Q Wang, P Jena, Y Kawazoe Journal of the American Chemical Society 127 (42), 14582-14583, 2005 | 795 | 2005 |
| Topological node-line semimetal in three-dimensional graphene networks H Weng, Y Liang, Q Xu, R Yu, Z Fang, X Dai, Y Kawazoe Physical Review B 92 (4), 045108, 2015 | 762 | 2015 |
| Ultra-stable nanoparticles of CdSe revealed from mass spectrometry A Kasuya, R Sivamohan, YA Barnakov, IM Dmitruk, T Nirasawa, ... Nature materials 3 (2), 99-102, 2004 | 568 | 2004 |
| First principles based design and experimental evidence for a ZnO-based ferromagnet at room temperature MHF Sluiter, Y Kawazoe, P Sharma, A Inoue, AR Raju, C Rout, ... Physical review letters 94 (18), 187204, 2005 | 547 | 2005 |
| Origin of anomalous lattice expansion in oxide nanoparticles S Tsunekawa, K Ishikawa, ZQ Li, Y Kawazoe, A Kasuya Physical Review Letters 85 (16), 3440, 2000 | 517 | 2000 |
| Structures and Phase Transition of a MoS2 Monolayer M Kan, JY Wang, XW Li, SH Zhang, YW Li, Y Kawazoe, Q Sun, P Jena The Journal of Physical Chemistry C 118 (3), 1515-1522, 2014 | 511 | 2014 |
| Vacancy-induced magnetism in ZnO thin films and nanowires Q Wang, Q Sun, G Chen, Y Kawazoe, P Jena Physical Review B 77 (20), 205411, 2008 | 495 | 2008 |
| Metal-encapsulated fullerenelike and cubic caged clusters of silicon V Kumar, Y Kawazoe Physical Review Letters 87 (4), 045503, 2001 | 468 | 2001 |
| Hysteretic current–voltage characteristics and resistance switching at an epitaxial oxide Schottky junction SrRuO3∕ SrTi0. 99Nb0. 01O3 T Fujii, M Kawasaki, A Sawa, H Akoh, Y Kawazoe, Y Tokura Applied Physics Letters 86 (1), 2005 | 458 | 2005 |
| Computational materials science: from ab initio to Monte Carlo methods K Ohno, K Esfarjani, Y Kawazoe Springer, 2018 | 444 | 2018 |
| Low-Temperature Phase Transformation from Graphite to Orthorhombic Carbon JT Wang, C Chen, Y Kawazoe Physical review letters 106 (7), 075501, 2011 | 361 | 2011 |
| A theoretical study on the interaction of aromatic amino acids with graphene and single walled carbon nanotube C Rajesh, C Majumder, H Mizuseki, Y Kawazoe The Journal of chemical physics 130 (12), 2009 | 327 | 2009 |
| Cluster expansion method for adsorption: Application to hydrogen chemisorption on graphene MHF Sluiter, Y Kawazoe Physical Review B 68 (8), 085410, 2003 | 322 | 2003 |
| Intramolecular structures of molecules adsorbed on the Cu(111)-(1×1) surface T Hashizume, K Motai, XD Wang, H Shinohara, Y Saito, Y Maruyama, ... Physical review letters 71 (18), 2959, 1993 | 322 | 1993 |
| Exfoliating biocompatible ferromagnetic Cr-trihalide monolayers J Liu, Q Sun, Y Kawazoe, P Jena Physical Chemistry Chemical Physics 18 (13), 8777-8784, 2016 | 305 | 2016 |
