First-Principle Study of Phosphine Adsorption on Si(001)-2 × 1–Cl
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چکیده
منابع مشابه
Adsorption of Phosphine on a BN Nanosurface
Electrical sensitivity of a Boron Nitride Nano Sheet (BNNS) to phosphine (PH3) molecule is studied using Density Functional Theory (DFT) calculations at the B3LYP/6-31G(d) level of theory. The adsorption energy (Ead) of phosphine on the surface of the pristine Nanosheet is about -678.96×1019eV. Pristine BNNS is a suitable adsorbent for phosphine and can be u...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2018
ISSN: 1932-7447,1932-7455
DOI: 10.1021/acs.jpcc.7b11519