A molecular dynamics study of the structure of water layers adsorbed on MgO (100)

A Marmier, PNM Hoang, S Picaud, C Girardet… - The Journal of …, 1998 - pubs.aip.org
The interaction of water with surfaces is a topic of research in a wide variety of disciplines
which has gained an increasing activity in surface science with the improvement in surface …

Adsorption of water on MgO (100): A singular behavior

C Girardet, PNM Hoang, A Marmier, S Picaud - Physical Review B, 1998 - APS
Interaction-potential minimization and molecular-dynamics simulations show that a perfect
MgO (100) surface accomodates very stable flat water monolayers differing only by the …

Adsorption of H2O on double layer stepped Si (111) surface

Ş Katιrcιoğlu, Ş Erkoç - Surface science, 1997 - Elsevier
We have investigated possible water adsorption forms on stepped Si (111) surface.
Calculations have been performed by using the empirical tight-binding method. Two types of …

The Effect of H₂O Chemisorption on the Reconstruction of the Si (100) Surface: a Theoretical Approach

양성은, 김호징 - Bulletin of the Korean Chemical Society, 1995 - koreascience.kr
The structure and electronic properties of the Si (100) surface is studied using the atom
superposition and electron delocalization method. The energy released when the symmetric …

Adsorption of oxygen and hydrogen on stepped Si (100) surface

SA Salman, S Katircioğlu - physica status solidi (b), 1999 - Wiley Online Library
We have investigated the electronic band structure of oxygen and hydrogen adsorbed
stepped Si (100) surface using the empirical tight binding method (ETB). The total electronic …

Water adsorption on the stepped si (110) surface

Ş Katircioglu, Ş Erkoç - physica status solidi (b), 1996 - Wiley Online Library
We have investigated the possible water adsorption forms on the stepped Si (110) surface.
Calculations have been performed by using the empirical tight‐binding method. Two types …