Coping with the new norm: ICT-pedagogy integration awareness and competencies of TEI faculty

This study examined the Information and Communications Technology (ICT) -pedagogy integration awareness and competencies of faculty membersof a teacher education institution (TEI). Descriptive research methodwas employed through the use of survey questionnaire to collect data.Fifty (50) faculty membersserved as respondentsin this study.Most of the respondents perceived themselves to be extremely aware of utilizing ICT tools/ equipment and moderately aware of using application software despite reporting that they were self-taught in acquiring basic ICT skills. They were also found to be proficient in terms of level of competency in integration. It was also discovered that mostareas of their competency were significantly related to respondents’ awareness in using ICT. This paper suggests that higher education institutions should devise innovative teacher training programs that will increase the ICT pedagogy awareness and integration of teacher education faculty members

Hydrogen Saturation Limit of Ti-Doped BN Nanotube With B-N Defects: An Insight From DFT Calculations

Ti-decorated (10,0) single-walled BN nanotubes (BNNTs) with B-N defects was fully examined by density functional theory (DFT). According to DFT formalisms, the HOMO-LUMO gap found for the Ti-BNNTs is small compared to that of a wide-gap semiconducting pristine BNNT. The Ti atom does not form any clusters and protrudes to the external surface of the sidewall. The calculations suggest that the Ti-BNNT assembly can attract small molecules and it has a good affinity towards H2 molecules. Up to seven H2 can partially attach to the system in quasi-molecular fashion due to the partially cationic character of the functionalized Ti and heteropolar bonds exhibited at the BNNT surface. The binding energies of H2 with Ti-BNNTs are within the optimal range for H2 storage. The unique electronic structure is barely perturbed upon adsorption and the (H2)7xTixBNNT systems hydrogen storage capacity is in compliance to the specifications mandated by the Department of Energy

Nitrogen Substitution and Vacancy Mediated Scandium Metal Adsorption on Carbon Nanotubes

First-principle calculation reveals that N containing carbon nanotubes (CNTs) can support the functionalization of transition metals such as Sc on the CNT surface. For N-substituted CNTs without a vacancy, the enhanced adsorption results from large electron affinity difference of the N adjacent to C atom. In this case, the N atom activates nearby C atom and enhances its interaction with the Sc metal on the CNT surface. Meanwhile, the formation of a vacancy in CNTs causes local reconstruction of the surface near the vacancy site. Simulation and analysis show that vacancy mediated N substitution is a more favored scheme for Sc functionalization on the surface of CNTs that suppresses the clustering of Sc. The enhanced Sc adsorption in N-doped CNTs with mono- and di-vacancy defects was attributed to strong hybridization between the Scandium d orbital and nitrogen p orbital. The results explain theoretically the mechanism of enhanced functionalization of metals on N doped CNTs and suggests that Sc functionalized nitrogen doped CNTs with vacancies is an excellent candidate for the adsorption of small molecules

Understanding the structure and electronic properties of N-doped graphene nanoribbons upon hydrogen saturation

Structures and electronic properties of zigzag graphene nanoribbon (ZGNR) with pyridine (3NV-ZGNR) functionalized by Scandium (Sc) at the edge were studied through quantum chemical calculations in the formalism of density-functional theory (DFT). Pyridine-like nitrogen defects is very crucial for enhancing the Sc atom binding to the defects and is thermodynamically favoured. During Sc decoration of ZGNR there is a shift from 0.35 eV small gap semiconductor regime to that of a metal which can be used for band gap tuning by controlled saturation of Sc. ZGNR decorated with Sc can attract H2. Upon saturation of multiple H2 in quasi-molecular fashion, the metallic character is converted to semiconductors of small gap of 0.10 eV, which are predicted to be interesting materials not only for hydrogen storage but also for their band gap engineered properties.© 2014 Indian Academy of Sciences