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1.
J Phys Condens Matter ; 33(38)2021 Jul 19.
Artículo en Inglés | MEDLINE | ID: mdl-34198270

RESUMEN

Despite the interest in a chlorine monolayer on Si(100) as an alternative to hydrogen resist for atomic-precision doping, little is known about its interaction with dopant-containing molecules. We used the density functional theory to evaluate whether a chlorine monolayer on Si(100) is suitable as a resist for PH3, PCl3, and BCl3molecules. We calculated reaction pathways for PH3, PCl3, and BCl3adsorption on a bare and Cl-terminated Si(100)-2 × 1 surface, as well as for PH3adsorption on H-terminated Si(100)-2 × 1, which is widely used in current technologies for atomically precise doping of Si(100) with phosphorus. It was found that the Si(100)-2 × 1-Cl surface has a higher reactivity toward phosphine than Si(100)-2 × 1-H, and, therefore, unpatterned areas are less protected from undesirable incorporation of PH3fragments. On the contrary, the resistance of the Si(100)-2 × 1-Cl surface against the chlorine-containing molecules turned out to be very high. Several factors influencing reactivity are discussed. The results reveal that phosphorus and boron trichlorides are well-suited for doping a patterned Cl-resist by donors and acceptors, respectively.

2.
J Chem Phys ; 148(24): 244702, 2018 Jun 28.
Artículo en Inglés | MEDLINE | ID: mdl-29960376

RESUMEN

The adsorption of O2 on Ag(111) between 300 and 500 K has been studied with temperature-programmed desorption (TPD) and scanning tunneling microscopy (STM). At the first stage of adsorption, the disordered local oxide phase (commonly looking in STM as an array of black spots) is formed on the surface irrespective of the substrate temperature. The maximum concentration of black spots was found to be ≈0.11 ML, which corresponds to an oxygen coverage of ≈0.66 ML. Taking into account that the nucleation of the Ag(111)-p(4 × 4)-O phase starts after the saturation of the disordered phase, one can conclude that its coverage is at least not less than 0.66 ML. The analysis of STM and TPD data shows that the thermodesorption peak (m/e = 32) at 570 K is related exclusively to the decomposition of the p(4 × 4) phase, while the local oxide phase does not contribute to desorption.

3.
Phys Rev Lett ; 117(5): 056101, 2016 Jul 29.
Artículo en Inglés | MEDLINE | ID: mdl-27517780

RESUMEN

The atomic structure of the disordered phase formed by oxygen on Ag(111) at low coverage is determined by a combination of low-temperature scanning tunneling microscopy and density functional theory. We demonstrate that the previous assignment of the dark objects in STM to chemisorbed oxygen atoms is incorrect and incompatible with trefoil-like structures observed in atomic-resolution images in current work. In our model, each object is an oxidelike ring formed by six oxygen atoms around the vacancy in Ag(111).

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