UAB Digital Repository of Documents 2 records found  Search took 0.00 seconds. 
18 p, 5.1 MB LiCrO2 under pressure : In-situ structural and vibrational studies / Garg, Alka B. (Homi Bhabha National Institute) ; Errandonea, Daniel (Universidad de Valencia. Departamento de Física Aplicada-ICMUV) ; Pellicer Porres, Julio (Universidad de Valencia. Departamento de Física Aplicada-ICMUV) ; Martínez García, Domingo (Universidad de Valencia. Departamento de Física Aplicada-ICMUV) ; Kesari, Swayam (Bhabha Atomic Research Centre) ; Rao, Rekha (Bhabha Atomic Research Centre) ; Popescu, Catalin (ALBA Laboratori de Llum de Sincrotró) ; Bettinelli, Marco (University of Verona)
The high-pressure behaviour of LiCrO, a compound isostructural to the battery compound LiCoO, has been investigated by synchrotron-based angle-dispersive X-ray powder diffraction, Raman spectroscopy, and resistance measurements up to 41, 30, and 10 Gpa, respectively. [...]
2019 - 10.3390/cryst9010002
Crystals, Vol. 9, Issue 1 (January 2019) , art. 2  
13 p, 1.6 MB Influence of Defects in Boron Nitride Nanotubes in the Adsorption of Molecules : Insights from B3LYP-D2* Periodic Simulations / Matarín, Oriol. Universitat Autònoma de Barcelona. Departament de Química ; Rimola Gibert, Albert (Universitat Autònoma de Barcelona. Departament de Química)
The adsorption of H2O, NH3 and HCOOH as polar molecules and C6H6 and CH4 as non-polar ones on a series of zig-zag (6,0) single-walled boron nitride nanotubes (BNNTs) both being defect-free (P_BNNT) and containing defects at the nanotube walls has been studied by means of B3LYP-D2* periodic calculations. [...]
2016 - 10.3390/cryst6050063
Crystals, Vol. 6 (May 2016) , p. 1-13  

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