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    • SixC1−xO2 alloys: A Possible Route to Stabilize carbon-based silica-like Solids? 

      ARAVINDH, Assa; ARKUNDATO, Artoto; BARMAN, Sonali; BARONI, Stefano; BHARGAVA, B.L.; CANDRAKUMAR, K.R.S.; CHEN, Wei; CHERIAN, Roby; CORSO, Andrea Dal; TDATTA, Soumendu; GIRONCOLI, Stefano de; DHAYAL, Suman S.; DIXIT, Alok Kumar; DUTTA, Sudipta; D'YACHKOV, Pavel; FLOARE, Calin Gabriel; GANGULI, Nirmal; GANGULY, Shreemoyee; GEBAUER, Ralph; GHOSH, Saurabh; GIANNOZI, Paolo; GOVIND, Govind; HATT, Alison J.; HEMBRAM, K.P.S.S.; IMAM, Mighfar; JAYALAKSHMI, V.; JAYANTHI, C.S.; KELKAR, Tuhina; KUMAR, Anil; LEE, Jun Hee; LEE, Mal-Soon; LONAPPAN, Dayana; MAHADEVAN, Priya; MALLAJOSYULA, Sairam Swaroop; MARATHE, Madhura; MARZARI, Nicola; MELOT, Brent; MILLEER, Nicholas; MORRONE, Joseph; NANVATI, Sachin; NANAYAKKARA, Asiri; NANDI, Prithwish Kumar; NARASIMHAN, Shobhana; NATARAJAN, Bhaarati; PARHIN, Fahmida; PAUL, Sujata; PRADHAN, Kalpataru; PRAVEENA, G.; PRASAD, Dasari L.V.K.; POSWAL, Himanshu K.; PUJARI, Bhalchandra; PUSPHA, Raghani; REDDY, K. Hari Krishna; SAHA, Srijan Kumar; SBRACCIA, Carlo; SCANDOLO, Sandro; SEAL, Prasenjit; SHAFAI, Ghazal S.; SHANAVAS, K.V.; SIMRALL, James O.H.; SRIRANGARAJAN, Aarti; SRIVASTAVA, Vipul; TALATIO, Mina K.; TANGTIRUNGROTECHAI, Yuthana; TARAFDER, Kartick; THOMAS, Tiju; UTHAYATHASAN, T. (Solid State Communication, 2007-11-01)
      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 ...