Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Sonali Barman"'
Publikováno v:
The Journal of Physical Chemistry C. 112:19963-19968
From first-principles density functional electronic structure calculations, we show that Si60H60 forms a highly symmetric (meta)stable fullerene structure on which Ti atoms can be capped exohedrally in cationic form, enabling storage of hydrogen in t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::39711dbb7b090cf91e64f267878071c8
https://doi.org/10.1021/jp804637x
https://doi.org/10.1021/jp804637x
Autor:
Mighfar Imam, K.V. Shanavas, K. R. S. Chandrakumar, James O.H. Simrall, Ghazal S. Shafai, Prithwish K. Nandi, Shobhana Narasimhan, Madhura Marathe, Suman S. Dhayal, Andrea Dal Corso, Ralph Gebauer, Chakram Jayanthi, Stefano Baroni, Tuhina Kelkar, Asiri Nanayakkara, Sandro Scandolo, Sujata Paul, K. Hari Krishna Reddy, Mal-Soon Lee, Assa Aravindh, Himanshu K. Poswal, Srijan Kumar Saha, Kalpataru Pradhan, Pavel D’yachkov, Brent C. Melot, Alison Hatt, Wei Chen, Shreemoyee Ganguly, Alok Kumar Dixit, Prasenjit Seal, Nirmal Ganguli, Bhaarati Natarajan, Nicholas Miller, Govind, T. Uthayathasan, Joseph Morrone, V. Jayalakshmi, F. Parvin, Priya Mahadevan, Călin G. Floare, Soumendu Datta, Aarti Srirangarajan, Roby Cherian, Tiju Thomas, Yuthana Tantirungrotechai, Sonali Barman, Mina K. Talati, Paolo Giannozzi, Nicola Marzari, Sairam S. Mallajosyula, Dayana Lonappan, Carlo Sbraccia, Sachin P. Nanavati, Stefano de Gironcoli, Vipul Srivastava, Kartick Tarafder, B.L. Bhargava, Jun Hee Lee, Dasari L.V.K. Prasad, Saurabh Ghosh, Artoto Arkundato, Sudipta Dutta, Bhalchandra S. Pujari, Raghani Pushpa, K. P. S. S. Hembram, G. Praveena, Anil Kumar
Publikováno v:
Solid State Communications. 144:273-276
Novel extended tetrahedral forms of CO2 have been synthesized recently under high-pressure conditions. We perform ab initio density functional theory calculations to investigate whether doping with Si can extend the stability range of such tetrahedra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::76febb20c5f9197170941e84a7b000d2
https://doi.org/10.1016/j.ssc.2007.09.011
https://doi.org/10.1016/j.ssc.2007.09.011
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 21(39)
Here we report a systematic theoretical study of the equilibrium structures, electronic and magnetic properties of FePd(n-1) clusters with n = 1-13, within the framework of density functional theory. The results show that the doping of a single Fe im
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b9d0c65974418934a77d8e17721a92c2
https://pubmed.ncbi.nlm.nih.gov/21832399
https://pubmed.ncbi.nlm.nih.gov/21832399
Publikováno v:
Diamond Light Source Proceedings. 1
The electronic structure of Co (100 Å)/Cu (50 Å) bilayer film on Si(100) has been investigated using valence band photoemission at 50 eV. The aim is to understand the Co/Cu interface and the nature of intermixing in Co and Cu layers. The valence ba
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::85426bed366f1a67e4a86874cfb86855
https://doi.org/10.1017/s2044820111000050
https://doi.org/10.1017/s2044820111000050
Publikováno v:
International Journal of Computational Materials Science and Engineering. :1350015
Size-selected Wn clusters can be deposited firmly on a graphite (0001) surface using a novel technique, where the positive ions (of the same metal atom species) embedded on the graphite surface by ion implantation, act as anchors. The size selected m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f6dba4ed79a81b3a86e797bc1a1894d9
https://doi.org/10.1142/s2047684113500152
https://doi.org/10.1142/s2047684113500152
Autor:
Soma Banik, Gour P. Das, Ajeet Kumar Srivastava, Deodatta M. Phase, Sonali Barman, Sanjay Rai, S. K. Deb
Publikováno v:
Journal of Applied Physics. 112:103702
Depth profiling type of measurement has been performed on the Co(100 A)/Cu(50 A) bilayer thin film. Valence band photoemission spectra were recorded at 50 eV photon energy as a function of sputtering time. The motivation of the present work is to und
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8c3a49675da945345524206352ef5e9a
https://doi.org/10.1063/1.4765732
https://doi.org/10.1063/1.4765732