| Year |
Citation |
Score |
| 2020 |
Tian HK, Jalem R, Gao B, Yamamoto Y, Muto S, Sakakura M, Iriyama Y, Tateyama Y. Electron and Ion Transfer across Interfaces of the NASICON-Type LATP Solid Electrolyte with Electrodes in All-Solid-State Batteries: A Density Functional Theory Study via an Explicit Interface Model. Acs Applied Materials & Interfaces. PMID 33226213 DOI: 10.1021/acsami.0c16463 |
0.306 |
|
| 2020 |
Miyazaki K, Takenaka N, Watanabe E, Yamada Y, Tateyama Y, Yamada A. First-Principles Study on the Cation-Dependent Electrochemical Stabilities in Li/Na/K-Hydrate-Melt Electrolytes. Acs Applied Materials & Interfaces. PMID 32865388 DOI: 10.1021/Acsami.0C10472 |
0.365 |
|
| 2020 |
Tuerxun F, Yamamoto K, Hattori M, Mandai T, Nakanishi K, Choudhary A, Tateyama Y, Sodeyama K, Nakao A, Uchiyama T, Matsui M, Tsuruta K, Tamenori Y, Kanamura K, Uchimoto Y. Determining Factor on Polarization Behavior of Magnesium Deposition for Magnesium Battery Anode. Acs Applied Materials & Interfaces. PMID 32395982 DOI: 10.1021/Acsami.0C03696 |
0.318 |
|
| 2020 |
Gao B, Jalem R, Tateyama Y. Surface-Dependent Stability of the Interface between Garnet LiLaZrO and the Li Metal in the All-Solid-State Battery from First-Principles Calculations. Acs Applied Materials & Interfaces. PMID 32216305 DOI: 10.1021/Acsami.9B23019 |
0.378 |
|
| 2020 |
Baba T, Sodeyama K, Kawamura Y, Tateyama Y. Li-ion transport at the interface between a graphite anode and LiCO solid electrolyte interphase: ab initio molecular dynamics study. Physical Chemistry Chemical Physics : Pccp. PMID 32159181 DOI: 10.1039/C9Cp06608J |
0.417 |
|
| 2020 |
Assadi MHN, Okubo M, Yamada A, Tateyama Y. Possible high-potential ilmenite type N a 1 M O 3 ( M = V – Ni ) cathodes realized by dominant oxygen redox reaction Physical Review Materials. 4: 15401. DOI: 10.1103/Physrevmaterials.4.015401 |
0.308 |
|
| 2019 |
Tsuneda T, Tateyama Y. On principal features of organic electrolyte molecules in lithium ion battery performance. Physical Chemistry Chemical Physics : Pccp. 21: 22990-22998. PMID 31599894 DOI: 10.1039/C9Cp03980E |
0.385 |
|
| 2019 |
Miyazaki K, Takenaka N, Watanabe E, Iizuka S, Yamada Y, Tateyama Y, Yamada A. First-Principles Study on the Peculiar Water Environment in a Hydrate-Melt Electrolyte. The Journal of Physical Chemistry Letters. PMID 31512877 DOI: 10.1021/Acs.Jpclett.9B02207 |
0.418 |
|
| 2019 |
Mandai T, Tatesaka K, Soh K, Masu H, Choudhary A, Tateyama Y, Ise R, Imai H, Takeguchi T, Kanamura K. Modifications in coordination structure of Mg[TFSA]-based supporting salts for high-voltage magnesium rechargeable batteries. Physical Chemistry Chemical Physics : Pccp. PMID 31020982 DOI: 10.1039/C9Cp01400D |
0.357 |
|
| 2019 |
Ishikawa A, Tateyama Y. Reaction energy benchmarks of hydrocarbon combustion by Gaussian basis and plane wave basis approaches. Journal of Computational Chemistry. 40: 1866-1873. PMID 30964559 DOI: 10.1002/Jcc.25838 |
0.334 |
|
| 2019 |
Watanabe E, Chung SC, Nishimura SI, Yamada Y, Okubo M, Sodeyama K, Tateyama Y, Yamada A. Combined Theoretical and Experimental Studies of Sodium Battery Materials. Chemical Record (New York, N.Y.). PMID 30694022 DOI: 10.1002/Tcr.201800125 |
0.361 |
|
| 2019 |
Okuno Y, Ushirogata K, Sodeyama K, Shukri G, Tateyama Y. Structures, Electronic States, and Reactions at Interfaces between LiNi0.5Mn1.5O4 Cathode and Ethylene Carbonate Electrolyte: A First-Principles Study The Journal of Physical Chemistry C. 123: 2267-2277. DOI: 10.1021/Acs.Jpcc.8B10625 |
0.403 |
|
| 2019 |
Gao B, Jalem R, Ma Y, Tateyama Y. Li+ Transport Mechanism at the Heterogeneous Cathode/Solid Electrolyte Interface in an All-Solid-State Battery via the First-Principles Structure Prediction Scheme Chemistry of Materials. 32: 85-96. DOI: 10.1021/Acs.Chemmater.9B02311 |
0.321 |
|
| 2019 |
Ko S, Yamada Y, Miyazaki K, Shimada T, Watanabe E, Tateyama Y, Kamiya T, Honda T, Akikusa J, Yamada A. Lithium-salt monohydrate melt: A stable electrolyte for aqueous lithium-ion batteries Electrochemistry Communications. 104: 106488. DOI: 10.1016/J.Elecom.2019.106488 |
0.385 |
|
| 2019 |
Tateyama Y, Gao B, Jalem R, Haruyama J. Theoretical picture of positive electrode–solid electrolyte interface in all-solid-state battery from electrochemistry and semiconductor physics viewpoints Current Opinion in Electrochemistry. 17: 149-157. DOI: 10.1016/J.Coelec.2019.06.003 |
0.4 |
|
| 2018 |
Jalem R, Nakayama M, Noda Y, Le T, Takeuchi I, Tateyama Y, Yamazaki H. A general representation scheme for crystalline solids based on Voronoi-tessellation real feature values and atomic property data. Science and Technology of Advanced Materials. 19: 231-242. PMID 29707064 DOI: 10.1080/14686996.2018.1439253 |
0.31 |
|
| 2018 |
Assadi MHN, Okubo M, Yamada A, Tateyama Y. Oxygen redox in hexagonal layered NaxTMO3 (TM = 4d elements) for high capacity Na ion batteries Journal of Materials Chemistry. 6: 3747-3753. DOI: 10.1039/C7Ta10826E |
0.363 |
|
| 2018 |
Wang J, Yamada Y, Sodeyama K, Watanabe E, Takada K, Tateyama Y, Yamada A. Fire-extinguishing organic electrolytes for safe batteries Nature Energy. 3: 22-29. DOI: 10.1038/S41560-017-0033-8 |
0.359 |
|
| 2018 |
Dvořák F, Szabová L, Johánek V, Farnesi Camellone M, Stetsovych V, Vorokhta M, Tovt A, Skála T, Matolínová I, Tateyama Y, Mysliveček J, Fabris S, Matolín V. Bulk Hydroxylation and Effective Water Splitting by Highly Reduced Cerium Oxide: The Role of O Vacancy Coordination Acs Catalysis. 8: 4354-4363. DOI: 10.1021/Acscatal.7B04409 |
0.336 |
|
| 2018 |
Szabová L, Camellone MF, Ribeiro FN, Matolín V, Tateyama Y, Fabris S. Dynamical Solvent Effects on the Charge and Reactivity of Ceria-Supported Pt Nanoclusters The Journal of Physical Chemistry C. 122: 27507-27515. DOI: 10.1021/Acs.Jpcc.8B09154 |
0.38 |
|
| 2018 |
Hattori M, Yamamoto K, Matsui M, Nakanishi K, Mandai T, Choudhary A, Tateyama Y, Sodeyama K, Uchiyama T, Orikasa Y, Tamenori Y, Takeguchi T, Kanamura K, Uchimoto Y. Role of Coordination Structure of Magnesium Ions on Charge and Discharge Behavior of Magnesium Alloy Electrode The Journal of Physical Chemistry C. 122: 25204-25210. DOI: 10.1021/Acs.Jpcc.8B08558 |
0.336 |
|
| 2018 |
Ishikawa A, Tateyama Y. First-Principles Microkinetic Analysis of NO + CO Reactions on Rh(111) Surface toward Understanding NOx Reduction Pathways The Journal of Physical Chemistry C. 122: 17378-17388. DOI: 10.1021/Acs.Jpcc.8B05906 |
0.32 |
|
| 2017 |
Haruyama J, Sodeyama K, Hamada I, Han L, Tateyama Y. First Principles Study of Electron Injection and Defects at the TiO2/CH3NH3PbI3 Interface of Perovskite Solar Cells. The Journal of Physical Chemistry Letters. PMID 29129082 DOI: 10.1021/Acs.Jpclett.7B02622 |
0.312 |
|
| 2017 |
Kasahara S, Natsui K, Watanabe T, Yokota Y, Kim Y, Iizuka S, Tateyama Y, Einaga Y. Surface Hydrogenation of Boron-Doped Diamond Electrodes by Cathodic Reduction. Analytical Chemistry. PMID 28994580 DOI: 10.1021/Acs.Analchem.7B02129 |
0.309 |
|
| 2017 |
Takada K, Yamada Y, Watanabe E, Wang J, Sodeyama K, Tateyama Y, Hirata K, Kawase T, Yamada A. Unusual passivation ability of superconcentrated electrolytes toward hard carbon negative electrodes in sodium-ion batteries. Acs Applied Materials & Interfaces. PMID 28766928 DOI: 10.1021/Acsami.7B08414 |
0.394 |
|
| 2017 |
Haruyama J, Sodeyama K, Tateyama Y. Cation Mixing Properties toward Co Diffusion at the LiCoO2 Cathode/Sulfide Electrolyte Interface in a Solid-State Battery. Acs Applied Materials & Interfaces. 9: 286-292. PMID 27991765 DOI: 10.1021/Acsami.6B08435 |
0.375 |
|
| 2017 |
Kajiyama S, Szabova L, Iinuma H, Sugahara A, Gotoh K, Sodeyama K, Tateyama Y, Okubo M, Yamada A. Pseudocapacitors: Enhanced Li-Ion Accessibility in MXene Titanium Carbide by Steric Chloride Termination (Adv. Energy Mater. 9/2017) Advanced Energy Materials. 7. DOI: 10.1002/Aenm.201770049 |
0.329 |
|
| 2017 |
Kajiyama S, Szabova L, Iinuma H, Sugahara A, Gotoh K, Sodeyama K, Tateyama Y, Okubo M, Yamada A. Enhanced Li-Ion Accessibility in MXene Titanium Carbide by Steric Chloride Termination Advanced Energy Materials. 7: 1601873. DOI: 10.1002/Aenm.201601873 |
0.379 |
|
| 2016 |
Callsen M, Sodeyama K, Futera Z, Tateyama Y, Hamada I. The Solvation Structure of Lithium Ions in an Ether Based Electrolyte Solution from First-Principles Molecular Dynamics. The Journal of Physical Chemistry. B. PMID 27997213 DOI: 10.1021/Acs.Jpcb.6B09203 |
0.677 |
|
| 2016 |
Farnesi Camellone M, Negreiros Ribeiro F, Szabová L, Tateyama Y, Fabris S. Catalytic Proton Dynamics at the Water/Solid Interface of Ceria-Supported Pt Clusters. Journal of the American Chemical Society. 138: 11560-7. PMID 27414757 DOI: 10.1021/Jacs.6B03446 |
0.359 |
|
| 2016 |
Wang J, Yamada Y, Sodeyama K, Chiang CH, Tateyama Y, Yamada A. Superconcentrated electrolytes for a high-voltage lithium-ion battery. Nature Communications. 7: 12032. PMID 27354162 DOI: 10.1038/Ncomms12032 |
0.374 |
|
| 2016 |
Okuno Y, Ushirogata K, Sodeyama K, Tateyama Y. Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio study. Physical Chemistry Chemical Physics : Pccp. PMID 26948716 DOI: 10.1039/C5Cp07583A |
0.411 |
|
| 2016 |
Scheers J, Lidberg D, Sodeyama K, Futera Z, Tateyama Y. Life of superoxide in aprotic Li-O2 battery electrolytes: simulated solvent and counter-ion effects. Physical Chemistry Chemical Physics : Pccp. PMID 26947132 DOI: 10.1039/C5Cp08056H |
0.677 |
|
| 2016 |
Kashiwada T, Watanabe T, Ootani Y, Tateyama Y, Einaga Y. A Study on Electrolytic Corrosion of Boron-Doped Diamond Electrodes when Decomposing Organic Compounds. Acs Applied Materials & Interfaces. PMID 26934500 DOI: 10.1021/Acsami.5B11638 |
0.348 |
|
| 2016 |
Haruyama J, Sodeyama K, Han L, Tateyama Y. Surface Properties of CH3NH3PbI3 for Perovskite Solar Cells. Accounts of Chemical Research. 49: 554-61. PMID 26901120 DOI: 10.1021/Acs.Accounts.5B00452 |
0.317 |
|
| 2016 |
Kajiyama S, Szabova L, Sodeyama K, Iinuma H, Morita R, Gotoh K, Tateyama Y, Okubo M, Yamada A. Sodium-Ion Intercalation Mechanism in MXene Nanosheets. Acs Nano. 10: 3334-41. PMID 26891421 DOI: 10.1021/Acsnano.5B06958 |
0.403 |
|
| 2016 |
Yamada Y, Usui K, Sodeyama K, Ko S, Tateyama Y, Yamada A. Hydrate-melt electrolytes for high-energy-density aqueous batteries Nature Energy. 1: 16129. DOI: 10.1038/Nenergy.2016.129 |
0.373 |
|
| 2016 |
Fronzi M, Tateyama Y, Marzari N, Nolan M, Traversa E. First-principles molecular dynamics simulations of proton diffusion in cubic BaZrO $$_3$$ 3 perovskite under strain conditions Materials For Renewable and Sustainable Energy. 5. DOI: 10.1007/S40243-016-0078-9 |
0.314 |
|
| 2015 |
Miyamoto Y, Tateyama Y, Oyama N, Ohno T. Conservation of the pure adiabatic state in Ehrenfest dynamics of the photoisomerization of molecules. Scientific Reports. 5: 18220. PMID 26658633 DOI: 10.1038/Srep18220 |
0.305 |
|
| 2015 |
Jono R, Tateyama Y, Yamashita K. A method to calculate redox potentials relative to the normal hydrogen electrode in nonaqueous solution by using density functional theory-based molecular dynamics. Physical Chemistry Chemical Physics : Pccp. 17: 27103-8. PMID 26412242 DOI: 10.1039/C5Cp05029D |
0.376 |
|
| 2015 |
Haruyama J, Sodeyama K, Han L, Tateyama Y. First-Principles Study of Ion Diffusion in Perovskite Solar Cell Sensitizers. Journal of the American Chemical Society. 137: 10048-51. PMID 26258577 DOI: 10.1021/Jacs.5B03615 |
0.358 |
|
| 2015 |
Ushirogata K, Sodeyama K, Futera Z, Tateyama Y, Okuno Y. Near-shore aggregation mechanism of electrolyte decomposition products to explain solid electrolyte interphase formation Journal of the Electrochemical Society. 162: A2670-A2678. DOI: 10.1149/2.0301514Jes |
0.641 |
|
| 2015 |
Ohsawa T, Ueda S, Suzuki M, Tateyama Y, Williams JR, Ohashi N. Investigating crystalline-polarity-dependent electronic structures of GaN by hard x-ray photoemission and ab-initio calculations Applied Physics Letters. 107. DOI: 10.1063/1.4934842 |
0.307 |
|
| 2015 |
Takada K, Ohta N, Tateyama Y. Recent Progress in Interfacial Nanoarchitectonics in Solid-State Batteries Journal of Inorganic and Organometallic Polymers and Materials. 25: 205-213. DOI: 10.1007/S10904-014-0127-8 |
0.366 |
|
| 2014 |
Futera Z, Sodeyama K, Burda JV, Einaga Y, Tateyama Y. A double-QM/MM method for investigating donor-acceptor electron-transfer reactions in solution. Physical Chemistry Chemical Physics : Pccp. 16: 19530-9. PMID 25103398 DOI: 10.1039/C4Cp02307B |
0.71 |
|
| 2014 |
Yamada Y, Furukawa K, Sodeyama K, Kikuchi K, Yaegashi M, Tateyama Y, Yamada A. Unusual stability of acetonitrile-based superconcentrated electrolytes for fast-charging lithium-ion batteries. Journal of the American Chemical Society. 136: 5039-46. PMID 24654781 DOI: 10.1021/Ja412807W |
0.411 |
|
| 2014 |
Labuta J, Futera Z, Ishihara S, Kou?ilová H, Tateyama Y, Ariga K, Hill JP. Chiral guest binding as a probe of macrocycle dynamics and tautomerism in a conjugated tetrapyrrole. Journal of the American Chemical Society. 136: 2112-8. PMID 24422518 DOI: 10.1021/Ja4124175 |
0.648 |
|
| 2014 |
Futera Z, Watanabe T, Einaga Y, Tateyama Y. First Principles Calculation Study on Surfaces and Water Interfaces of Boron-Doped Diamond Journal of Physical Chemistry C. 118: 22040-22052. DOI: 10.1021/Jp506046M |
0.667 |
|
| 2014 |
Sodeyama K, Yamada Y, Aikawa K, Yamada A, Tateyama Y. Sacrificial Anion Reduction Mechanism for Electrochemical Stability Improvement in Highly Concentrated Li-Salt Electrolyte Journal of Physical Chemistry C. 118: 519-519. DOI: 10.1021/Jp501178N |
0.396 |
|
| 2013 |
Kobori T, Sodeyama K, Otsuka T, Tateyama Y, Tsuneyuki S. Trimer effects in fragment molecular orbital-linear combination of molecular orbitals calculation of one-electron orbitals for biomolecules. The Journal of Chemical Physics. 139: 094113. PMID 24028108 DOI: 10.1063/1.4818599 |
0.331 |
|
| 2013 |
Ushirogata K, Sodeyama K, Okuno Y, Tateyama Y. Additive effect on reductive decomposition and binding of carbonate-based solvent toward solid electrolyte interphase formation in lithium-ion battery. Journal of the American Chemical Society. 135: 11967-74. PMID 23901789 DOI: 10.1021/Ja405079S |
0.416 |
|
| 2013 |
Geng F, Ma R, Nakamura A, Akatsuka K, Ebina Y, Yamauchi Y, Miyamoto N, Tateyama Y, Sasaki T. Unusually stable ~100-fold reversible and instantaneous swelling of inorganic layered materials. Nature Communications. 4: 1632. PMID 23535653 DOI: 10.1038/Ncomms2641 |
0.312 |
|
| 2013 |
Pawin G, Stieg AZ, Skibo C, Grisolia M, Schilittler RR, Langlais V, Tateyama Y, Joachim C, Gimzewski JK. Amplification of conformational effects via tert-butyl groups: hexa-tert-butyl decacyclene on Cu(100) at room temperature. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 7309-17. PMID 23311621 DOI: 10.1021/La304634N |
0.309 |
|
| 2013 |
Ushirogata K, Sodeyama K, Okuno Y, Tateyama Y. Additive effect on reductive decomposition and binding of carbonate-based solvent toward solid electrolyte interphase formation in lithium-ion battery Journal of the American Chemical Society. 135: 11967-11974. DOI: 10.1021/ja405079s |
0.307 |
|
| 2012 |
Jono R, Sumita M, Tateyama Y, Yamashita K. Redox Reaction Mechanisms with Non-triiodide Mediators in Dye-Sensitized Solar Cells by Redox Potential Calculations. The Journal of Physical Chemistry Letters. 3: 3581-4. PMID 26290992 DOI: 10.1021/Jz301589A |
0.369 |
|
| 2012 |
Sodeyama K, Sumita M, O'Rourke C, Terranova U, Islam A, Han L, Bowler DR, Tateyama Y. Protonated Carboxyl Anchor for Stable Adsorption of Ru N749 Dye (Black Dye) on a TiO2 Anatase (101) Surface. The Journal of Physical Chemistry Letters. 3: 472-7. PMID 26286049 DOI: 10.1021/Jz201583N |
0.316 |
|
| 2011 |
Okawa Y, Mandal SK, Hu C, Tateyama Y, Goedecker S, Tsukamoto S, Hasegawa T, Gimzewski JK, Aono M. Chemical wiring and soldering toward all-molecule electronic circuitry. Journal of the American Chemical Society. 133: 8227-33. PMID 21548552 DOI: 10.1021/Ja111673X |
0.327 |
|
| 2011 |
Li J, Futera Z, Li H, Tateyama Y, Higuchi M. Conjugation of organic-metallic hybrid polymers and calf-thymus DNA. Physical Chemistry Chemical Physics : Pccp. 13: 4839-41. PMID 21327286 DOI: 10.1039/C0Cp02037K |
0.618 |
|
| 2011 |
Sumita M, Sodeyama K, Han L, Tateyama Y. Water contamination effect on liquid acetonitrile/TiO2 anatase (101) interface for durable dye-sensitized solar cell Journal of Physical Chemistry C. 115: 19849-19855. DOI: 10.1021/Jp206910F |
0.361 |
|
| 2010 |
Watanabe T, Shimizu TK, Tateyama Y, Kim Y, Kawai M, Einaga Y. Giant electric double-layer capacitance of heavily boron-doped diamond electrode Diamond and Related Materials. 19: 772-777. DOI: 10.1016/J.Diamond.2010.02.022 |
0.322 |
|
| 2009 |
Hu C, Sugino O, Tateyama Y. Calculation of atomic excitation energies by time-dependent density functional theory within a modified linear response. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 064229. PMID 21715931 DOI: 10.1088/0953-8984/21/6/064229 |
0.309 |
|
| 2009 |
Hu C, Sugino O, Tateyama Y. All-electron calculation of nonadiabatic couplings from time-dependent density functional theory: Probing with the Hartree-Fock exact exchange. The Journal of Chemical Physics. 131: 114101. PMID 19778094 DOI: 10.1063/1.3226344 |
0.314 |
|
| 2009 |
Lee H, Miyamoto Y, Tateyama Y. Excited state carbene formation from UV irradiated diazomethane. The Journal of Organic Chemistry. 74: 562-7. PMID 19132940 DOI: 10.1021/Jo801853H |
0.301 |
|
| 2008 |
Takahashi N, Nakamura Y, Nara J, Tateyama Y, Uda T, Ohno T. Theoretical study of the initial oxidation processes on the Si(0 0 1) surface Surface Science. 602: 768-777. DOI: 10.1016/J.Susc.2007.12.004 |
0.312 |
|
| 2007 |
Tateyama Y, Blumberger J, Ohno T, Sprik M. Free energy calculation of water addition coupled to reduction of aqueous RuO4-. The Journal of Chemical Physics. 126: 204506. PMID 17552777 DOI: 10.1063/1.2737047 |
0.626 |
|
| 2006 |
Tateyama Y, Oyama N, Ohno T, Miyamoto Y. Real-time propagation time-dependent density functional theory study on the ring-opening transformation of the photoexcited crystalline benzene. The Journal of Chemical Physics. 124: 124507. PMID 16599697 DOI: 10.1063/1.2181139 |
0.314 |
|
| 2005 |
Tateyama Y, Blumberger J, Sprik M, Tavernelli I. Density-functional molecular-dynamics study of the redox reactions of two anionic, aqueous transition-metal complexes. The Journal of Chemical Physics. 122: 234505. PMID 16008460 DOI: 10.1063/1.1938192 |
0.601 |
|
| 2005 |
Blumberger J, Tateyama Y, Sprik M. Ab initio molecular dynamics simulation of redox reactions in solution Computer Physics Communications. 169: 256-261. DOI: 10.1016/J.Cpc.2005.03.059 |
0.59 |
|
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