Vietnam’s economy has been developing strongly in recent years;however, it is necessary to examine the impact of its economic activities on environmental quality. This study aims to evaluate the relationship between ...Vietnam’s economy has been developing strongly in recent years;however, it is necessary to examine the impact of its economic activities on environmental quality. This study aims to evaluate the relationship between CO<sub>2</sub> emissions and economic growth, industrial production, and foreign direct investment (FDI) in Vietnam. The ARDL estimation was used to process the dataset from World Bank. Results showed that economic growth, industrial production, and FDI have an impact on CO<sub>2</sub> emissions in the long run in Vietnam. Granger Causality test also indicated that there is a causal relationship between economic growth, industrial production, and CO<sub>2</sub> emissions in Vietnam from 1990 to 2018, at 5% statistical significance level. Proposed solutions to reduce CO<sub>2</sub> emissions but still promote economic growth toward the green growth orientation and zero carbon target attainment are as follows: 1) reduce the use of fossil energy in industrial manufacturing and replace it by renewable energy sources;2) use modern technology for all production sectors in economy;and 3) develop a legal framework for FDI projects selection and choose foreign investors with modern and low carbon emission technology.展开更多
Quantum chemical calculations on some possible equilibrium geometries of C24O2 isomers derived from C24 （D6） and C24O have been performed using density functional theory （DFT） method. The geometric and electronic ...Quantum chemical calculations on some possible equilibrium geometries of C24O2 isomers derived from C24 （D6） and C24O have been performed using density functional theory （DFT） method. The geometric and electronic structures as well as the relative energies and thermal stabilities of various C24O2 isomers at the ground state have been calculated at the B3LYP/6-31G（d） level of theory. And the 1,4,2,5-C24O2 isomer was found to be the most stable geometry where two oxygen atoms were added to the longest carbon-carbon bonds in the same pentagon from a thermodynamic point of view. Based on the optimized neutral geometries, the vertical ionization potential and vertical electron affinity have been obtained. Meanwhile, the vibrational frequencies, IR spectrum, and 13C chemical shifts of various C24O2 isomers have been calculated and analyzed.展开更多
文摘Vietnam’s economy has been developing strongly in recent years;however, it is necessary to examine the impact of its economic activities on environmental quality. This study aims to evaluate the relationship between CO<sub>2</sub> emissions and economic growth, industrial production, and foreign direct investment (FDI) in Vietnam. The ARDL estimation was used to process the dataset from World Bank. Results showed that economic growth, industrial production, and FDI have an impact on CO<sub>2</sub> emissions in the long run in Vietnam. Granger Causality test also indicated that there is a causal relationship between economic growth, industrial production, and CO<sub>2</sub> emissions in Vietnam from 1990 to 2018, at 5% statistical significance level. Proposed solutions to reduce CO<sub>2</sub> emissions but still promote economic growth toward the green growth orientation and zero carbon target attainment are as follows: 1) reduce the use of fossil energy in industrial manufacturing and replace it by renewable energy sources;2) use modern technology for all production sectors in economy;and 3) develop a legal framework for FDI projects selection and choose foreign investors with modern and low carbon emission technology.
文摘本文使用密度泛函理论(density functional theory,DFT)中的广义梯度近似(generalized gradient approximation,GGA)研究了经碱金属原子Li、过渡金属原子Ti和Fe原子修饰的富勒烯C18B2M(M=Li,Ti,Fe)的储氢性能.研究发现,C18B2由于B的替代掺杂,比C20对金属原子具有更高的结合能.由平均吸附能分析可知:C18B2Li对H2的吸附能力较弱,C18B2Fe对H2的吸附能力过强,而C18B2Ti对H2的平均吸附能介于0.45—0.59 e V之间,介于物理吸附和化学吸附之间(0.2—0.6 e V),因此可以实现常温下的可逆储氢.C18B2M(M=Li,Ti,Fe)能够吸附的H2数目最多分别为4,6和4.由储氢机理分析可知:C18B2Li主要通过碱金属离子激发的静电场来吸附H2,而C18B2Ti和C18B2Fe主要通过金属原子与H2之间的Kubas作用来吸附H2.由于C18B2Ti既有较大的储氢数目,又可以实现可逆储氢,因此有望开发成新型纳米储氢材料.
文摘Quantum chemical calculations on some possible equilibrium geometries of C24O2 isomers derived from C24 （D6） and C24O have been performed using density functional theory （DFT） method. The geometric and electronic structures as well as the relative energies and thermal stabilities of various C24O2 isomers at the ground state have been calculated at the B3LYP/6-31G（d） level of theory. And the 1,4,2,5-C24O2 isomer was found to be the most stable geometry where two oxygen atoms were added to the longest carbon-carbon bonds in the same pentagon from a thermodynamic point of view. Based on the optimized neutral geometries, the vertical ionization potential and vertical electron affinity have been obtained. Meanwhile, the vibrational frequencies, IR spectrum, and 13C chemical shifts of various C24O2 isomers have been calculated and analyzed.
