All spin-polarized calculations were performed using the CASTEP package50 with the following convergence criteria: energy 5.0e−5eV/atom, max. force 0.1 eV/Å, max. stress 0.2 GPa, max. displacement 0.
In a statement, MDEC said the 4ICG is designed to catalyse the use and development of 4IR technology into key business verticals as outlined in the national 4th IR policy. The grant will be used solely for the purpose of co-creation, problem-solving and commercialisation of 4th IR solutions...
The conclusions drawn can be summarized as follows: Acknowledgments This research was supported by the Boğaziçi University Research Fund through Project 04M105 and by the Scientific and Technical Research Council of Turkey through Project MISAG-228....
The most promising materials in terms of these criteria are based on transition metal oxides, mostly those of Fe, Mn, Co, Cr and Cu. Among them perovskites and spinels draw particular attention [1], [2], [3], [4], [5]. The addition of alkali often leads to strong enhancement of ...
The convergence criteria for energy and force were set to 10−4 eV and 0.03 eV Å−1, respectively. In addition, spin-polarization was considered. All energies calculated by DFT are corrected to the tem- perature of 298 K. Computational hydrogen electrode approximation was used to ...
the approach is versatile enough to use different types of amines to close the benzoxazine rings and to bring additional functionalities. Here, the amines used to close theoxazinerings were carefully selected based on two criteria: (a) their origin from renewable resources and (b) their functional...
The Climate Bonds Initiative launched the “Water Infrastructure Criteria under the Climate Bonds Standard” in 2016 (Climate Bonds Initiative 2021). Given the parallels and synergies between water and ocean financing, it may be sensible to treat water bonds and blue bonds under the same umbrella ...
Environmental Health Criteria 52: Toluene; World Health Organization: Geneva, Switzerland, 1985. 4. Guo, Y.; Liao, X.; Fu, M.; Huang, H.; Ye, D. Toluene decomposition performance and NOx by-product formation during a DBD-catalyst process. J. Environ. Sci. 2015, 28, 187–194. [...