Sum frequency generation and polarization–modulation infrared reflection absorption spectroscopy of functioning model catalysts from ultrahigh vacuum to ambient …

G Rupprechter - Advances in catalysis, 2007 - Elsevier
It has long been debated whether the results of classical surface science investigations
carried out under ultrahigh vacuum (UHV) can be truly transferred to heterogeneous …

Crystallographic study of interaction between adspecies on metal surfaces

H Over - progress in surface science, 1998 - Elsevier
The interaction among adsorbed atoms and molecules (adspecies) on metal surfaces plays
a decisive role in catalytic reactions. Such interaction may cause structural changes of the …

Field-dependent chemisorption of carbon monoxide and nitric oxide on platinum-group (111) surfaces: Quantum chemical calculations compared with infrared …

M Koper, RA van Santen, SA Wasileski… - The Journal of Chemical …, 2000 - pubs.aip.org
As for metal surfaces in ultrahigh vacuum UHV or gas-phase environments, carbon
monoxide and nitric oxide constitute chemisorbates of particular significance in …

DFT-based characterization of the multiple adsorption modes of nitrogen oxides on Pt (111)

RB Getman, WF Schneider - The Journal of Physical Chemistry C, 2007 - ACS Publications
Pt is the most common catalyst for NO oxidation to NO2, a key reaction in NO x remediation
chemistry. In this work, density functional theory calculations and plane-wave supercell …

Theory of nitride oxide adsorption on transition metal (111) surfaces: a first-principles investigation

ZH Zeng, JLF Da Silva, WX Li - Physical Chemistry Chemical Physics, 2010 - pubs.rsc.org
In this work, we report a density functional theory study of nitric oxide (NO) adsorption on
close-packed transition metal (TM) Rh (111), Ir (111), Pd (111) and Pt (111) surfaces in …

Surface vibrational spectroscopy from ultrahigh vacuum to atmospheric pressure: adsorption and reactions on single crystals and nanoparticle model catalysts …

G Rupprechter - Physical Chemistry Chemical Physics, 2001 - pubs.rsc.org
Vibrational sum frequency generation (SFG) spectroscopy has been developed to a stage of
surface sensitivity that is comparable to the classical surface science methods. SFG has …

In situ high-resolution XPS studies on adsorption of NO on Pt (111)

JF Zhu, M Kinne, T Fuhrmann, R Denecke… - Surface science, 2003 - Elsevier
High-resolution X-ray photoelectron spectroscopy (XPS) and temperature-programmed XPS
at BESSY II have been applied to investigate the adsorption and desorption of NO on a Pt …

A concerted assessment of potential-dependent vibrational frequencies for nitric oxide and carbon monoxide adlayers on low-index platinum-group surfaces in …

MJ Weaver, S Zou, C Tang - The Journal of chemical physics, 1999 - pubs.aip.org
The availability of reliable as well as straightforward means of preparing single-crystal metal
surfaces for electrochemical study, together with the emergence of optical spectroscopic and …

Energetics, geometry and spin density of NO chemisorbed on Pt {111}

Q Ge, DA King - Chemical physics letters, 1998 - Elsevier
Ab initio total energy calculations using spin density functional theory with the generalised
gradient approximation have been performed for NO chemisorption on Pt {111} …

[HTML][HTML] Sum frequency generation (SFG) spectroscopy at surfaces and interfaces: Adsorbate structure and molecular bond orientation

X Li, G Rupprechter - Surface Science Reports, 2024 - Elsevier
Abstract Infrared (IR)-visible (Vis) sum frequency generation (SFG) is a second-order
nonlinear optical process which is forbidden in centrosymmetric bulk media or isotropic …