Gas molecules(such as CH4,CO,H2O,H2S,NH_3)adsorption on the pure and Au-doped WO3(001)surface have been studied by Density functional theory calculations with generalized gradient approximation.Based on the the calcul...Gas molecules(such as CH4,CO,H2O,H2S,NH_3)adsorption on the pure and Au-doped WO3(001)surface have been studied by Density functional theory calculations with generalized gradient approximation.Based on the the calculation of adsorption energy,we found the most stable adsorption site for gas molecules by comparing the adsorption energies of different gas molecules on the WO3(001)surface.We have also compared the adsorption energy of five different gas molecules on the WO3(001)surface,our calculation results show that when the five kinds of gases are adsorbed on the pure WO3(001)surface,the order of the surface adsorption energy is CO>H2S>CH4>H2O>NH3.And the results show that NH3 is the most easily adsorbed gas among the other four gases adsorbed on the surface of pure WO3(001)surface.We also calculated the five different gases on the Au-doped WO3(001)surface.The order of adsorption energy was found to be different from the previous calculation:CO>CH4>H2S>H2O>NH3.These results provide a new route for the potential applications of Au-doped WO3 in gas molecules adsorption.展开更多
Our earlier paper has identified a wave of Type 1 that is the pressure wave generated in the liquid-filled glass tube through the tube-arrest method by pulling and arresting the tube,when cavitation is prohibited. If ...Our earlier paper has identified a wave of Type 1 that is the pressure wave generated in the liquid-filled glass tube through the tube-arrest method by pulling and arresting the tube,when cavitation is prohibited. If cavitation is produced,a wave of Type 2 generally appears. The present paper takes the transition between wave types as indication of cavitation onset,and looks for a liquid parameter which controls the onset. One such an attempt shows the concentration of a dissolved gas in the liquid is the controlling factor with the result that the threshold of cavitation onset decreases with the increase of the concentration. Then a specially designed experiment reveals that possibly the mobility of the gas molecules (and also that of the liquid molecules) transiently affects the threshold so as to induce a large rise and fall in time of hours. The threshold finally settles down to some stable value under atmospheric pressure.展开更多
基金supported by the National Natural Science Foundation of China(51506166)China National Funds for Distinguished Young Scientists(51425603)National Science Foundation for Post-doctoral Scientists of China(2016T90915)~~
基金the Key Projects of National Natural Science Foundation of China(U1704255)the National Natural Science Foundation of China(11804081)+6 种基金the National Natural Science Foundation of China(Grant No.21603109)the Henan Joint Fund of the National Natural Science Foundation of China(Grant No.U1404216)the Natural Science Foundation of Henan Province(182102210305)the Natural Science Foundation of Henan Province(19B430003,20A430016,182300410288)the Key Research Project for the Universities of Henan Province(19A140009)the Doctoral Foundation of Henan Polytechnic University(B2018-38)the Open Project of Key Laboratory of Radio Frequency and Micro-Nano Electronics of Jiangsu Province(LRME201601)。
文摘Gas molecules(such as CH4,CO,H2O,H2S,NH_3)adsorption on the pure and Au-doped WO3(001)surface have been studied by Density functional theory calculations with generalized gradient approximation.Based on the the calculation of adsorption energy,we found the most stable adsorption site for gas molecules by comparing the adsorption energies of different gas molecules on the WO3(001)surface.We have also compared the adsorption energy of five different gas molecules on the WO3(001)surface,our calculation results show that when the five kinds of gases are adsorbed on the pure WO3(001)surface,the order of the surface adsorption energy is CO>H2S>CH4>H2O>NH3.And the results show that NH3 is the most easily adsorbed gas among the other four gases adsorbed on the surface of pure WO3(001)surface.We also calculated the five different gases on the Au-doped WO3(001)surface.The order of adsorption energy was found to be different from the previous calculation:CO>CH4>H2S>H2O>NH3.These results provide a new route for the potential applications of Au-doped WO3 in gas molecules adsorption.
基金supported by the National Natural Science Foundation of China (Grant No. 10434070)
文摘Our earlier paper has identified a wave of Type 1 that is the pressure wave generated in the liquid-filled glass tube through the tube-arrest method by pulling and arresting the tube,when cavitation is prohibited. If cavitation is produced,a wave of Type 2 generally appears. The present paper takes the transition between wave types as indication of cavitation onset,and looks for a liquid parameter which controls the onset. One such an attempt shows the concentration of a dissolved gas in the liquid is the controlling factor with the result that the threshold of cavitation onset decreases with the increase of the concentration. Then a specially designed experiment reveals that possibly the mobility of the gas molecules (and also that of the liquid molecules) transiently affects the threshold so as to induce a large rise and fall in time of hours. The threshold finally settles down to some stable value under atmospheric pressure.
