Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials

F De Angelis, C Di Valentin, S Fantacci… - Chemical …, 2014 - ACS Publications
Driven by growing concerns for environmental and energy issues, interest in semiconductor-
based heterogeneous photocatalysis has increased considerably over the last decades …

Quantitative spectral and orientational analysis in surface sum frequency generation vibrational spectroscopy (SFG-VS)

HF Wang*, W Gan, R Lu†‡ §, Y Rao†‡¶… - … Reviews in Physical …, 2005 - Taylor & Francis
Sum frequency generation vibrational spectroscopy (SFG-VS) has been proven to be a
uniquely effective spectroscopic technique in the investigation of molecular structure and …

Surface characterization of nanomaterials and nanoparticles: Important needs and challenging opportunities

DR Baer, MH Engelhard, GE Johnson… - Journal of Vacuum …, 2013 - pubs.aip.org
This review examines characterization challenges inherently associated with understanding
nanomaterials and the roles surface and interface characterization methods can play in …

Structure and dynamics of interfacial water studied by heterodyne-detected vibrational sum-frequency generation

S Nihonyanagi, JA Mondal… - Annual review of …, 2013 - annualreviews.org
Vibrational sum-frequency generation (VSFG) spectroscopy is a powerful tool to study
interfaces. Recently, multiplex heterodyne-detected VSFG (HD-VSFG) has been developed …

Reactivity of Anatase TiO2 Nanoparticles:  The Role of the Minority (001) Surface

XQ Gong, A Selloni - The Journal of Physical Chemistry B, 2005 - ACS Publications
Methanol adsorption on clean and hydrated anatase TiO2 (001)-1× 1 is studied using
density functional theory calculations and first principles molecular dynamics simulations. It …

C−H Stretching Vibrations of Methyl, Methylene and Methine Groups at the Vapor/Alcohol (n = 1−8) Interfaces

R Lu, W Gan, B Wu, Z Zhang, Y Guo… - The Journal of Physical …, 2005 - ACS Publications
In IR and Raman spectral studies, the congestion of the vibrational modes in the C− H
stretching region between 2800 and 3000 cm-1 has complicated spectral assignment …

DPPC Langmuir monolayer at the air− water interface: probing the tail and head groups by vibrational sum frequency generation spectroscopy

G Ma, HC Allen - Langmuir, 2006 - ACS Publications
Dipalmitoylphosphatidylcholine (DPPC) is the predominant lipid component in lung
surfactant. In this study, the Langmuir monolayer of deuterated …

Second Harmonic Generation, Sum Frequency Generation, and χ(3): Dissecting Environmental Interfaces with a Nonlinear Optical Swiss Army Knife

FM Geiger - Annual review of physical chemistry, 2009 - annualreviews.org
This review discusses recent advances in the nonlinear optics of environmental interfaces.
We discuss the quantitative aspects of the label-free approaches presented here and …

Sum-frequency generation spectroscopy of interfaces

F Vidal, A Tadjeddine - Reports on Progress in Physics, 2005 - iopscience.iop.org
This paper reviews aspects of nonlinear optical spectroscopy of interfaces. The emphasis is
put on second-order nonlinear optical techniques, such as sum-frequency generation (SFG) …

Density Functional Theory Study of Formic Acid Adsorption on Anatase TiO2(001):  Geometries, Energetics, and Effects of Coverage, Hydration, and Reconstruction

XQ Gong, A Selloni, A Vittadini - The Journal of Physical Chemistry …, 2006 - ACS Publications
We present density functional theory calculations and first-principles molecular dynamics
simulations of formic acid adsorption on anatase TiO2 (001), the minority surface exposed …