Mia Ledyastuti, Yunfeng Liang and Toshifumi Matsuoka The first-principles molecular dynamics study of quartz–water interface International Journal of Quantum Chemistry 113
The ability to understand the formation mechanism and structure of defects in crystalline and amorphous silica is of fundamental importance in earth sciences. This can be achieved by first–principles molecular dynamics. In the case of the interaction between water and quartz, it is found that germinal silanol species dominate the surface.
Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf