SnO2 Physical and Chemical Properties due to the impurity doping

Abstract�First-principles calculations based on the Density Functional Theory (DFT) within the generalized gradient approximation (GGA), and the introduction of intra-atomic interaction term for strongly correlated electrons (DFT+U), have been utilized to study defective SnO2 crystals. Introduction...

• المؤلف الرئيسي: Rivera Escobar, R. (author)
• مؤلفون آخرون: Stashans, A. (author), Puchaicela Huaca, L. (author)
• التنسيق: article
• منشور في: 2013
• الموضوعات: DFT
• الوصول للمادة أونلاين: http://dspace.utpl.edu.ec/handle/123456789/19196