Structure and Bonding of the Water-Hydroxyl Mixed Phase on Pt(111)

详细信息    查看全文

• 作者：T. Schiros ; L.-Å ; . N&auml ; slund ; K. Andersson ; J. Gyllenpalm ; G. S. Karlberg ; M. Odelius ; H. Ogasawara ; L. G. M. Pettersson ; A. Nilsson
• 刊名：Journal of Physical Chemistry C
• 出版年：2007
• 出版时间：October 18, 2007
• 年：2007
• 卷：111
• 期：41
• 页码：15003 - 15012
• 全文大小：317K
• 年卷期：v.111,no.41(October 18, 2007)
• ISSN：1932-7455

文摘

We combine low-energy electron diffraction (LEED), X-ray photoelectron spectroscopy (XPS), X-rayabsorption spectroscopy (XAS), and Auger electron spectroscopy (AES) with density functional theory (DFT)to reveal the structure and bonding of water-hydroxyl mixed layers adsorbed on Pt(111). We find that thestable water-hydroxyl adlayer forms a mixed phase of nearly coplanar hexamer structures resulting in (3× 3)R30 and (3 × 3) unit cells, respectively. In the asymmetric (3 × 3) structure the lateral O-O distancesalternate between long and short bond lengths similar to the chemical bonding network for OH^- ions insolution. The chemical driving force behind this similarity is discussed in a molecular orbital picture.