Výsledky vyhledávání - "Archana Velloth"

Enhanced oxygen reduction activity of size-selected platinum subnanocluster catalysts: Ptn (n = 3–9)

Autor: Akira Ohnuma, Koki Takahashi, Hironori Tsunoyama, Tomoya Inoue, Pei Zhao, Archana Velloth, Masahiro Ehara, Nobuyuki Ichikuni, Masao Tabuchi, Atsushi Nakajima

Publikováno v: Catalysis Science & Technology. 12:1400-1407

Ptn subnanoclusters (n = 3–9) on a carbon substrate exhibit 1.6–2.2 times higher activity than the standard Pt/C catalysts. EXAFS experiments and DFT calculations show plausible structures and energetics for reaction intermediates in the processe

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0b075a320c2bcb3f8a2cde36a93f20da
https://doi.org/10.1039/d1cy00573a

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Functionalization of Endohedral Metallofullerenes toward Improving Barrier Height for the Relaxation of Magnetization for Dy2@C80-X (X = CF3, C3N3Ph2)

Autor: Archana Velloth, Masahiko Hada, Yutaka Imamura

Publikováno v: Inorganic Chemistry. 58:1208-1215

We theoretically studied the electronic and magnetic properties of the exterior functionalized endohedral metallofullerenes (EMFs) of Gd2@ I h-C80-X (where X is the exterior functional group). Molecular orbital analysis suggests that the presence of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::292866a33be5eccd5bf961f48f27a7af
https://doi.org/10.1021/acs.inorgchem.8b02652

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Enhanced oxygen reduction activity of platinum subnanocluster catalysts through charge redistribution

Autor: Archana Velloth, Masahiro Ehara, Koki Takahashi, Akira Ohnuma, Hironori Tsunoyama, Atsushi Nakajima, Masao Tabuchi, Nobuyuki Ichikuni

Publikováno v: Chemical Communications. 55:12603-12606

Single-size platinum Pt6 subnanoclusters exhibit superior mass-specific and surface-specific activities for the oxygen reduction reaction. The enhanced activity is attributed to polarized electron distributions based on rigorous structure characteriz

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a939832d4a5a418354d9b5ec4eb3b47
https://doi.org/10.1039/c9cc06327g

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Quantum Chemical Study on Endohedral Heteronuclear Dimetallofullerene M1M2@Ih-C80 toward Molecular Design

Autor: Masahiko Hada, Yutaka Imamura, Archana Velloth, Takeshi Kodama

Publikováno v: The Journal of Physical Chemistry C. 121:27700-27708

Structural and electronic properties on neutral and anionic species of M1M2@Ih-C80 including heteronuclear metal/lanthanides were theoretically investigated. Theoretical analysis demonstrates that M1M2@Ih-C80 can be categorized into three groups: (i)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e5640c637c1a72a02820d4ec807a080c
https://doi.org/10.1021/acs.jpcc.7b08302

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Theoretical Insights into the Electronic Structures and Stability of Dimetallofullerenes M2@Ih-C80

Autor: Takeshi Kodama, Archana Velloth, Masahiko Hada, Yutaka Imamura

Publikováno v: The Journal of Physical Chemistry C. 121:18169-18177

We present a theoretical study on the structural and electronic properties of a series of neutral and anionic species of M2@Ih-C80 (M = Sc, Y, La, Gd, Lu). Molecular orbital analysis suggests that the unpaired electron appears on the cage for neutral

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::929a8ab51dffb8232924dba5d237bbce
https://doi.org/10.1021/acs.jpcc.7b03533

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The Origin of Relative Stability of Di-µ-oxo M–M Chiral Salen Complexes [M–M = Ti(IV)–Ti(IV), V(IV)–V(IV), Cr(IV)–Cr(IV), and Mn(IV)–Mn(IV)]: A Quantum-Chemical Analysis

Autor: Masahiko Hada, Radhika Narayanan, Takuya Kurahashi, Hiroshi Fujii, Archana Velloth

Publikováno v: Bulletin of the Chemical Society of Japan. 89:447-454

Di-µ-oxo dimetal cores can form dinuclear complexes with definite stereochemistries. Recent studies describing the synthesis and evaluation of titanium(IV) and manganese(IV) di-µ-oxo dimetal chiral...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::63faec921319c830732aea65b03bd40c
https://doi.org/10.1246/bcsj.20150393

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Akademický článek

Theoretical insights into the origin of magnetic exchange and magnetic anisotropy in {Re^IV–M^II} (M = Mn, Fe, Co, Ni and Cu) single chain magnets.

Autor: Singh, Saurabh Kumar, Vignesh, Kuduva R., Archana, Velloth, Rajaraman, Gopalan

Publikováno v: Dalton Transactions: An International Journal of Inorganic Chemistry; 5/21/2016, Vol. 45 Issue 19, p8201-8214, 14p

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