The adsorption of one monolayer H atoms on an ideal Si(100) surface is studied by using the self-consistent tight binding linear muffin-tin orbital method. Energies of adsorption systems of H atoms on different sites ...The adsorption of one monolayer H atoms on an ideal Si(100) surface is studied by using the self-consistent tight binding linear muffin-tin orbital method. Energies of adsorption systems of H atoms on different sites are calculated.It is found that the adsorbed H atoms are more favorable on B1 site (bridge site) with a distance 0.056 nm above the Si surface. There does not exist reaction barrier at the Si surface. The layer projected density states are calculated and compared with those of the clean surface. The charge transfers are also investigated.展开更多
The adsorption of one monolayer S atoms on ideal Si（100） surface is studied by using the self-consistent tight binding linear muffon-tin orbital method. Energies of adsorption systems ors atoms on different sites ar...The adsorption of one monolayer S atoms on ideal Si（100） surface is studied by using the self-consistent tight binding linear muffon-tin orbital method. Energies of adsorption systems ors atoms on different sites are calculated. It is found that the adsorbed S atoms are more favorable on B1 site （bridge site） with a distance 0.131 nm above the Si surface. The .S, Si mixed layer might exist at S/Si（100） interface. The layer projected density of states are calculated and compared with that of the clean surface. The charge transfers are also investigated.展开更多
To understand the absorption mechanism of nitrogen dioxide into a sodium sulfide solution, a stirred tank reactor with a plane gas-liquid interface was used to measure the chemical absorption rate of diluted nitrogen ...To understand the absorption mechanism of nitrogen dioxide into a sodium sulfide solution, a stirred tank reactor with a plane gas-liquid interface was used to measure the chemical absorption rate of diluted nitrogen dioxide into sodium sulfide solution. The absorption rates under various experimental conditions were measured and the effects of experimental conditions on nitrogen dioxide absorption rate were discussed. The results show that, in the range of this study, nitrogen dioxide absorption rate increases with increasing sodium sulfide concentration, nitrogen dioxide inlet concentration, and flue gas flow rate, but decreases with increasing reaction temperature and oxygen content in flue gas.展开更多
文摘The adsorption of one monolayer H atoms on an ideal Si(100) surface is studied by using the self-consistent tight binding linear muffin-tin orbital method. Energies of adsorption systems of H atoms on different sites are calculated.It is found that the adsorbed H atoms are more favorable on B1 site (bridge site) with a distance 0.056 nm above the Si surface. There does not exist reaction barrier at the Si surface. The layer projected density states are calculated and compared with those of the clean surface. The charge transfers are also investigated.
文摘The adsorption of one monolayer S atoms on ideal Si（100） surface is studied by using the self-consistent tight binding linear muffon-tin orbital method. Energies of adsorption systems ors atoms on different sites are calculated. It is found that the adsorbed S atoms are more favorable on B1 site （bridge site） with a distance 0.131 nm above the Si surface. The .S, Si mixed layer might exist at S/Si（100） interface. The layer projected density of states are calculated and compared with that of the clean surface. The charge transfers are also investigated.
基金supported by the Key Project of the National Key Technologies Supporting Program of China during the 11th Five-Year Plan Period (No. 2006BAA01B04)the Program for New Excellent Talents in University (No. NCET-06-0513), China
文摘To understand the absorption mechanism of nitrogen dioxide into a sodium sulfide solution, a stirred tank reactor with a plane gas-liquid interface was used to measure the chemical absorption rate of diluted nitrogen dioxide into sodium sulfide solution. The absorption rates under various experimental conditions were measured and the effects of experimental conditions on nitrogen dioxide absorption rate were discussed. The results show that, in the range of this study, nitrogen dioxide absorption rate increases with increasing sodium sulfide concentration, nitrogen dioxide inlet concentration, and flue gas flow rate, but decreases with increasing reaction temperature and oxygen content in flue gas.
