Index
Page numbers with “f ” denote figures.
A inverse deposition, 185–189
Aberrations, 124–128
Ab initio thermodynamics, 150, 155–162
Ablation, in surfactant-contained solutions,
56–57
AcryMed, 357–358
Ag-Au nanoalloys, 215–219, 347
Ag–Co, 182–189
direct deposition, 182–184
inverse deposition, 185–189
Ag–Cu, 182–189, 195, 219–221
direct deposition, 182–184
inverse deposition, 185–189
Aggregation, 40–42, 44–45, 56–57
Ag–Ni, 182–189
direct deposition, 182–184
inverse deposition, 185–189
Ag–Pd, 190–192, 195–196
direct deposition, 190
inverse deposition, 190–192
Alkanes, reforming of, 316–320
Alkoxysilanes, 352
Alloy cluster sources, 47f
Alloy Theoretic Automated Toolkit
(ATAT), 161–162
3-Aminopropyltriethyoxysilane, 352
Annular dark field, high angular (HAADF),
131–134
Anomalous wide-angle X-ray scattering
(AWAXS), 309
Anti-Mackay icosahedron, 184
Aqueous media, nanoalloys synthesis in
examples of, 10–12
experimental methods, 7–8
metal ions reduction using NaBH4, 8
mixed metal hydroxides under H2
atmosphere, reduction of, 7–8
Atom-by-atom growth, in gas phase,
181–194
Ag–Co, 182–189
direct deposition, 182–184
Ag–Cu, 182–189, 192–193,
219–221
direct deposition, 182–184
inverse deposition, 185–189
Ag–Ni, 182–189
direct deposition, 182–184
inverse deposition, 185–189
Ag–Pd, 190–192
direct deposition, 190
inverse deposition, 190–191
Ni–Al, 193–194
Atomic force microscopy (AFM), 116–117
contact mode, 117
principle of, 118f
taping mode, 117
Au–Ag clusters, optical absorption
experiments on, 217, 218f
Au–Cu, 192–193
Aufbau principle, 287–288
Au–Pd, 195
Au–Pt, 194–195
B
Basin-hopping (BH) method, 80–82
Bimetallic catalysts, 284, 312–313,
323–324
Bimetallic core–shell islands, 394–396
Binary Lennard–Jones (BLJ) nanoparticles,
84–85
Binary nanoalloys, structure and chemical
order in, 83–91
big, 89–91
systems with strong tendency to
segregation, 84–88
systems with weak tendency to
segregation, 88–89
Biocompatibility, 348–350
Biocompatible nanoparticles, formation of,
using pulse laser ablation in liquids,
57–58
408
Biomedical applications of nanoalloys,
345–346, 350–361
classification and current applications,
346–348
considerations for, 348–350
NiTi alloy and NiTi nanoalloy, comparison
between, 361–364
Blue shift in copper and gold, 210–211
Bragg scattering, 138–139
Brønsted-Evans-Polanyi (BEP)
relationships, 292–294
Bulk composition of nanoalloys, 62–63
C of clusters, 165
13
C labeling, 309–310
CALPHAD (CALculation of PHAse
Diagrams), 161–162
Catalysis
electrocatalysis, 320–324
nanoalloys application in, 21–31
CO oxidation on ceria supported
bimetallic nanoalloys, 25–31
CO oxidation over Au/Pd nanoparticles,
22–25
measurements, 21–22
theoretical models of, 294–298
ultrananocatalysis, 296–298,
314–315
Catalytic properties, of nanoalloys,
310–324
alkanes, reforming of, 316–320
CO oxidation, 312–316
electrocatalysis, 320–324
Fischer–Tropsch process, 316
NOx decomposition, 311–312
three-way catalysts, 310–311
Cetyltrimethylammonium bromide
(CTAB), 56–57, 353
Chemical ordering, 298–304
ligands influence on, 302–304
orbit approach and patchy multishell
arrangement, 300–302
patterns, in binary nanoalloys, 83–91
Chemical synthesis, of nanoalloys, 1–38
in aqueous media
examples, 10–12
experimental methods, 7–8
in organic media, 8
examples, 12–21
Index
supersaturated solutions, nucleation and
growth from, 6–7
vapor phase, nucleation and growth from,
4–6
Chemical vapor deposition (CVD),
118–119
plasma-enhanced, 118–119
Chitosan, 352
Classical nucleation theory (CNT), 3–4,
6–7, 177–178
Classification of nanoalloys, 346–348
Clausius–Mossoti equation, 213–214
Coalescence
in gas phase, 194–196
Ag–Cu, 195
Ag–Pd, 195–196
Au–Pd, 195
Au–Pt, 194–195
Co impurities, in Cu wires, 268–271
impurity environment, role of,
270–271
symmetric chains, 268–270
CO catalytic oxidation, 312–316
Au versus Pd, 22–25
on ceria supported bimetallic nanoalloys,
25–31
Coherent potential method, 154
Colloidal dispersion, of nanoparticles,
50–66
ablation, in surfactant-contained solutions,
56–57
bulk composition, 62–63
experimental setups, 53–54
mixed nanoalloys, 61–62
nanoparticles formation
by post laser irradiation, 63–66
using pulsed lasers, 55–56
pulse laser ablation in liquids, 52–53
biocompatible nanoparticles formation
using, 57–58
mechanism of, 58–59
semiconductors, nanoalloy of, 63
size reduction, 59–61
solvent effect, on nanoalloy
formation, 63
Colloid-monolayer lithography, 388
Common Neighbor Analysis, 81–82
Conduction electrons, 205
Index
Confined metallic systems, optical response
of, 207–211
intermediate range, 208–211
large pure nanoparticles, 207–208
Connolly–Williams method, 154
Contrast transfer function (CTF), 125,
139–140
Conventional transmission electron
microscopy (CTEM)
diffraction contrast, 122–123
electron diffraction, 123–124
phase contrast, 123. See also Transmission
electron microscopy
Copper, blue shift in, 210–211
CORDIS source, 45–46
Core–shell segregated nanoalloys,
346–347
Co–Rh nanoalloys, magnetic anisotropy of,
264–268
Crowther criterion, 134
Cytotoxicity tests, 350
D Environmental transmission electron
Debye–Waller factor, 138–139
Definition of nanoalloy, 345
Density functional theory (DFT), 78–79,
86–102, 150, 156–157, 160–161,
250–253, 287–291
Density of states (DOS), 290–291, 294
d-DOS distribution, 294
projected, 290–291, 294–295
Dextran coatings, 351
Dipolar approximation, 208–209
Dirac equation, 123–124
Direct methanol fuel cells (DMFCs),
322–323
Drude dielectric function, 205–207
E F
Electrocatalysis, 320–324
Electron delocalization/localization
phenomena, 151–152
Electronegativity equalization (EE)
method, 93–94
Electron–electron scattering,
230–231
Electron energy loss spectroscopy (EELS),
121–122, 133
Electronic density of states (EDOS), 101
409
Electronic effects, 291–294
on geometric structure, 93–96
Electronic properties of nanoalloys,
100–102
Electron–ion energy exchanges in
bimetallic nanoparticles,
232–234
alloyed systems, case of, 232–233
core–shell systems, case of, 233–234
Electron–phonon interactions, in nanoalloy,
233
Electron tomography, with scanning
transmission electron microscopy,
134
Embedded atom model (EAM), 164
Empirical potentials (EP), 79–82, 86–91,
93–99
Energy filtered transmission electron
microscopy (EFTEM), 133,
222–223
Environmental effects, on geometric
structure, 98–100
microscopy (ETEM), 304–305.
See also Transmission electron
microscopy
Epichlohydrin, 351
Epitaxy, 158
Equal channel angular pressing (ECAP),
158
Excess energy, 82
Excess radius, 103–104
Extended X-ray absorption fine structure
(EXAFS) spectroscopy, 307–310,
317
Extinction cross-section, 207–208
Extreme ultra violet (EUV) light, 386–388
Fe–Ce nanoparticles, synthesis and
characterization of, 22
Au versus Pd, CO catalytic oxidation over,
22–25
Fe-Co nanoalloys, 359
Fe nanoparticles, synthesis and
characterization of, 22
Au versus Pd, CO catalytic oxidation over,
22–25
Fe-Pt nanoparticles, 358, 360
410
Fe–Rh clusters, 257–264
binding energy and magnetic moments,
259–261
chemical order of, 258–259
electronic structure, 261–263
spin-orbit effects, 263–264
structure of, 258–259
Fermi energy, 290–291
Ferromagnetic (FM) clusters, 248
Fick law, 149
FINEMETS, 147–148
Finite size effect, 150–158
First-principles methods. See wave-
function-based methods
Fischer–Tropsch process, 316
Fresnel contrast method (FCM), 128–130
G from vapor phase, 4–6
Gas phase
atom-by-atom growth in, 181–194
Ag–Co, 182–189
Ag–Cu, 182–189
Ag–Ni, 182–189
Ag–Pd, 190–192
Au–Cu, 192–193
Ni–Al, 193–194
clusters, 40–50
bimetallic clusters, 45–49
CORDIS source, 45
formation of, 42–43
Hume-Rothery rules, breakdown of,
49–50
laser ablation cluster source, 43
pulsed-arc discharge source, 44
pulse laser ablation, features of, 44
sputtering source, 44–45
ternary metal clusters, 49
formation through coalescence in,
194–196
Ag–Cu, 195
Ag–Pd, 195–196
Au–Pd, 195
Au–Pt, 194–195
Gatan Tridiem 866 filter, 133
Generalized gradient approximation
(GGA), 79, 288–289
Genetic algorithms (GAs), 80–81
Geometric phase analysis (GPA), 139–140
Geometric structure
Index
electronic effects on, 93–96
environmental effects on, 98–100
thermal effects on, 96–98
Gibbs energy, 161–163
Gibbs phase rule, 162–163
Gold nanoparticles, 356–357
blue shift in, 210–211
Grain boundary
effect, 150–158
migration, 158
sliding, 158
Growth of nanoalloys
in liquid phase, 196–197
overpotential deposition conditions, 197
underpotential deposition conditions,
197
from supersaturated solutions, 6–7
Gupta potential, 79–80, 87–88,
91–92, 94
H
Hart–Mortlock equation, 148
Hartree–Fock exchange, 288–289
Heterogeneous catalysis, understanding,
324–326
High angular annular dark field–scanning
transmission electron microscopy
(HAADF–STEM), 131–134
High-resolution transmission electron
microscopy (HRTEM), 122, 125,
128–131. See also Transmission
electron microscopy
Hill–Wheeler parameter, 81–82
Hohenberg–Kohn–Sham’s density-
functional theory, 251–253
HOMO-LUMO gap, 95, 100–102
Homotops, 76
Hot isostatic pressing (HIP), 361
Hume-Rothery rules, breakdown of, 49–50
Hybrid motifs, 299–300
Hyperthermia, 354–355
I
Imaging techniques, 115–116
Impurity-doped clusters, dilute limit of,
91–93
Inorganic nanocrystals
3D binary superlattices, 384–386
Index
3D superlattices, crystalline structure of,
379–386
capping agent, influence of,
381–383
shape, influence of, 383–384
3D superlattice, substrates influence
on, 384
2D self-assembly of, 374–379
particles–substrate interactions,
377–378
roughness of substrates, 376–377
solvent on self-assembly processes,
378–379
Intermixing kinetics, 179–180
In vitro imaging, 358, 360–361
Iron oxide nanoparticles, 353, 354f
J
JEOL ARM200F microscope, 134–135,
136f
K Maxwell–Garnett equation, 148
Kinetic aspects, 175–177
atom-by-atom growth, in gas phase,
181–194
Ag–Cu, Ag–Ni and Ag–Co,
182–189
Ag–Pd, 190–192
Au–Cu, 192–193
Ni–Al, 193–194
formation through coalescence, in gas
phase, 194–196
Ag–Cu, 195
Ag–Pd, 195–196
Au–Pd, 195
Au–Pt, 194–195
freezing of liquid droplets, 180–181
growth in liquid phase, 196–197
intermixing kinetics, 179–180
nucleation, 177–179
Kinetic Monte-Carlo (KMC) simulations,
391–392
Kinetic trapping phenomena, 176
Kirkendall effect, 149
Kohn–Sham (KS) equations, 78–79, 252,
287–288
Kramers–Kronig relationship, 205–207
Kubo model, 209–210
411
L
La Mer-mechanism, 6–7
Langmuir–McLean equation, 148
Laser ablation cluster source, 43
Leary tetrahedron, 300
Liquid droplets, freezing of, 180–181
Liquid phase, nanoalloys growth in,
196–197
Local density approximation (LDA),
288–289
London-dispersion interactions, 79
Low-energy ion scattering (LEIS),
222–224
M
Magic compositions, 82
Magic numbers, 298–299
Magnetic anisotropy energy (MAE),
247–249, 255–257
Magnetic nanoparticles, 348, 350–351
Magnetic resonance imaging (MRI), 356,
358
Melting of nanoalloys, 163–165
Metal cluster abundance spectrometry, 151
Metallic nanoalloys, 203–246, 350
bimetallic nanoparticles, optical response
of, 211–213
confined metallic systems, optical response
of, 207–211
intermediate range, 208–211
large pure nanoparticles, 207–208
metal bulk optical properties, 205–207
nonlinear optical response of, 225–237
Raman spectroscopy, 226–230
time resolved pump–probe experiments,
230–237
optical absorption of, 213–225
noble metal/noble metal alloys,
215–221
noble metal/transition metal alloys,
221–224
as probe of oxidation, 224–225
synthesis of nanoalloys, 213
Metal polarization, 205–207
Methoxy methane, 324
Methylcyclopentane (MCP), 319–320
Microwave irradiation (MWI), 2–4, 7–8,
118–119
412
Microwave irradiation (MWI) (Continued )
CO oxidation on ceria supported bimetallic
nanoalloys from, 25–31
Mie theory, 151, 207–208, 208f, 219
Mixed core–shell nanoalloys, 346–347
Mixed metal hydroxides under H2
atmosphere, reduction of, 7–8
Mixed nanoalloys, 61–62
Molecular dynamics (MD), 82, 161
simulations, 176–177
velocity autocorrelation function, 157
Monte Carlo (MC) simulation, 82, 96–98,
160–161, 163, 177, 391–392
Mott transition, 150, 152
MTT assay, 360
Multiple histogram method, 82
Multishell nanoalloys, 346–347
N Nitinol, 361–364
Nanoalloy(s)
applications in catalysis, 21–31
CO oxidation on ceria supported
bimetallic nanoalloys, 25–31
CO oxidation over Au/Pd nanoparticles,
22–25
measurements, 21–22
bulk composition of, 62–63
chemical synthesis of, 1–38
electronic properties of, 100–102
formation, solvent effect on, 63
mixed, 61–62
physical preparation of, 39–74
of semiconductors, 63
stability of, 82–83, 102–104
thermodynamical properties of, 147–174
Nanoimprint lithography, 388
Nanoparticles (NPs), 247–248
chemical synthesis of, 1–38
in aqueous media, 7–8, 10–12
in organic media, 8, 12–21
supersaturated solutions, nucleation and
growth from, 6–7
vapor phase, nucleation and growth
from, 4–6
Nanoscale phase diagrams, 159–163
Nanostructured crystalline substrates,
self-organized nanoalloys on,
388–396
bimetallic core–shell islands, 394–396
Index
nanostructured crystalline surfaces as
templates, 388–391
ordered growth on nanostructured
surfaces, principles of, 391–394
Nanostructured crystalline surfaces
ordered growth on, principles of,
391–394
as templates, 388–391
Ni/Ag nanoparticles, electron–lattice
energy exchanges in, 234
Ni–Al, 193–194
Nickel nanoparticles, quadrupolar mode
frequency of, 229–230
Ni impurities, in Cu wires, 268–271
impurity environment, role of, 270–271
symmetric chains, 268–270
Ni-Pd nanoalloy, 347
Ni-Pt alloy nanoparticles, 347
Noble metal/noble metal alloys, 215–221
Noble metal/transition metal alloys,
221–224
Noncollinear spin polarizations, 272
Nonlinear optical response, of metallic
nanoalloys, 225–237
Raman spectroscopy, 226–230
alloyed system, case of, 227–229
background, 226–227
core–shell systems, case of, 229–230
time resolved pump–probe experiments,
230–237
background, 230–232
coherent excitation of vibrational
resonances in bimetallic
nanoparticles, 235–237
electron–ion energy exchanges in
bimetallic nanoparticles, 232–234
NOx decomposition, 311–312
Nucleation, 177–179
homogeneous, 4, 6
of nanoparticles/nanoalloys
from supersaturated solutions, 6–7
from vapor phase, 4–6
O
Optical absorption, of metallic nanoalloys,
213–225
noble metal/noble metal alloys,
215–221
Index
noble metal/transition metal alloys,
221–224
as probe of oxidation, 224–225
Optical response, nanoalloys, 212–213
of bimetallic nanoparticles, 211–213
of confined metallic systems, 207–211
intermediate range, 208–211
large pure nanoparticles, 207–208
Orbital polarization (OP)
ansatz, 255–256
approximation, 255–256
Order–disorder transitions, in nanoalloys,
158–159
Organic media, nanoalloys synthesis in, 8
examples, 12–21
experimental methods, 8
Ostwald ripening, 6–7, 149
P 89–90
Parallel tempering method, 82
Path-integral techniques, 82
Pd-Pt nanoalloy catalysts, 347
Phase diagrams, nanoscale, 159–163
Physical preparation, of nanoalloys,
39–74
colloidal dispersion, of nanoparticles,
50–66
ablation, in surfactant-contained
solutions, 56–57
bulk composition, 62–63
experimental setups, 53–54
mixed nanoalloys, 61–62
nanoparticles formation, by post laser
irradiation, 63–66
nanoparticles formation, using pulsed
lasers, 55–56
pulse laser ablation in liquids, 52–53,
57–59
semiconductors, nanoalloy of, 63
size reduction, 59–61
solvent effect, on nanoalloy formation,
63
gas phase clusters, 40–50
bimetallic clusters, 45–49
CORDIS source, 45
formation of, 42–43
Hume-Rothery rules, breakdown of,
49–50
laser ablation cluster source, 43
413
pulse laser ablation, features of, 44
pulsed-arc discharge source, 44
sputtering source, 44–45
ternary metal clusters, 49
Plasma-enhanced chemical vapor
deposition, 118–119. See also
Chemical vapor deposition
Platinum, utilizations of, 285f
Platinum acetylacetonate, 359
Poly(ethylene) glycol (PEG), 351–352
Polyicosahedral motifs, 298–299
Polymer coatings, 351
Polymer electrolyte fuel cell (PEFC),
315–316
Post laser irradiation
nanoparticles formation by, 63–66
nanoparticles size reduction by, 59–61
Potential energy surface (PES), 76, 81–82,
modeling, 78–80
sampling, 80–82
searching, 80–82
Preferential CO oxidation (PROX), 315
Probe molecules, use of, 309–310
Projected density of states (PDOS),
290–291, 294–295. See also Density
of states
Projector augmented wave (PAW) method,
253
Pulsed-arc discharge source (PACIS), 44
Pulsed lasers, nanoparticles formation
using, 55–56
Pulse laser ablation, features of, 44
Pulse laser ablation in liquids (PLAL), 52–53
biocompatible nanoparticles formation
using, 57–58
mechanism of, 58–59
Q
Quadrupolar vibration mode, of nanoalloys,
227–230
Quantum size effect, 1–2
Quantum well state (QWS), 153–154
R
Radiological contrast agents, 345
Raman spectroscopy, 226–230
alloyed system, case of, 227–229
background, 226–227
414
Raman spectroscopy (Continued )
core–shell systems, case of, 229–230
Random phase approximation (RPA),
209–210
Reactivity and catalysis by nanoalloys,
284–286
catalytic properties, 310–324
CO oxidation, 312–315
electrocatalysis, 320–324
Fischer–Tropsch process, 316
NOx decomposition, 311–312
reforming of alkanes, 316–320
three-way catalysts, 310–311
perspectives of, 326
structural characterization of, 298–310
investigation, experimental techniques
for, 304–310
structural motifs and chemical ordering,
298–304
theoretical methods, 286–298
density functional theory, 287–291
electronic and geometric effects and use
of descriptors, 291–294
S Self-interaction error (SIE), 288–289
Sabatier principle, 292–294
Saturation magnetization (SM), 247–248
Scanning probe microscopy (SPM),
116–121
Scanning transmission electron microscopy
(STEM), 121–141
aberrations, 124–128
elastic properties, calculation of,
139–141
electron tomography with, 134
Fresnel contrast method, 128–130
high angular annular dark field, 131–134
principles of, 121–124
Z-contrast at sub-angström resolution in,
134–139
Schrödinger equation, 123–124
Selectivity, ingredients of, 285–286
Self-assembly of nanoalloys, 373–406
buffer-layer-assisted growth and
nanorings, 397–399
chemical routes, 374–386
interactions in low energy cluster beam
depositions, 396–397
physical routes, 386–399
Index
alternative approaches, 396–399
self-assembly versus top-down
approaches, 386–388
self-organized nanoalloys on
nanostructured crystalline substrates,
388–396
3D binary superlattices, 384–386
3D superlattices, crystalline structure of,
379–386
capping agent, influence of, 381–383
nanocrystals shape, influence of,
383–384
3D superlattice, substrates influence on,
384
2D self-assembly of inorganic
nanocrystals, 374–379
particles–substrate interactions,
377–378
roughness of substrates, 376–377
solvent on self-assembly processes,
378–379
Self-consistent tight-binding (SCTB)
theory, 250, 253–257
Self-interaction correction (SIC), 79
Self-organized nanoalloys, on
nanostructured crystalline
substrates, 388–396
bimetallic core–shell islands, 394–396
nanostructured crystalline surfaces as
templates, 388–391
principles of ordered growth on
nanostructured surfaces, 391–394
Semiconductors, nanoalloy of, 63
Shape memory effect (SME), 361
Silver nanoparticles, 356–357
Size-driven phase transition, 156–157
Size reduction, 59–61
Small-angle X-ray scattering, 307
Small angle X-rays diffraction (SAXRD),
379–383
Smart materials, 113–114
Sodium dodecyl sulfate (SDS), 56–57
Sol–gel process, 352
Solvent effect, on nanoalloy formation, 63
Spark plasma sintering (SPS), 361–362
Spherical jellium model (SJM), 95, 101
Spin -and orbital-polarized density (SOPD),
265
Index
Spin–orbit (SO) coupling, 249
Spin-reorientation transitions (SRTs),
272
Spontaneous alloying (SA), 179
molecular dynamics simulations of,
179–180
Sputtering source, 44–45
Stability of nanoalloys, 102–104
indices of, 82–83
Stern–Gerlach (SG) deflection
measurements, 248
Stober method, 352
Stoner–Wohlfarth model, 266–268
Structural characterization, of nanoalloys,
298–310
experimental techniques for, 113–146
atomic force microscopy, 117–121
imaging techniques, 115–116
scanning probe microscopy, 116–121
scanning transmission electron
microscopy. See Scanning
transmission electron microscopy
structural motifs, 298–304
chemical ordering and, 300–304
environmental transmission electron
microscopy, 304–305
hybrid motifs, 299–300
magic numbers, 298–299
polyicosahedral motifs, 299–300
probe molecules, use of, 309–310
structural investigation, experimental
techniques for, 304–310
transmission electron microscopy,
304–305
X-ray based techniques, 305–309
X-ray photoelectron spectroscopy,
305–309
Subcluster segregated nanoalloys,
346–347
Superatoms, 102
Superlattices, 379–386
Superparamagnetic nanoparticles, 354
Superplasticity of nanoalloys, 158
Surface-enhanced Raman scattering
(SERS), 347
Surface plasmon resonance (SPR), 151,
203–205, 208–209, 220–222
Surface reconstruction, 157–158
Surface segregation, 149, 157, 159
415
Systems with strong tendency to
segregation, 84–88
Systems with weak tendency to segregation,
88–89
T
Taboo Search, 81
Ternary metal clusters, 49
Therapeutic devices, 364–365
Thermal diffuse scattering (TDS), 138–139
Thermal effects, on geometric structure,
96–98
Thermal fluctuation, 148–149, 162–163
Thermodynamical properties, of
nanoalloys, 147–174
finite size effect, 150–158
grain boundary effect, 150–158
melting, 163–165
nanoscale phase diagrams, 159–163
order–disorder transitions, 158–159
3D self-organization of inorganic
nanocrystals, 379–386
3D binary superlattices, 384–386
3D superlattices, crystalline structure of
capping agent, influence of, 381–383
nanocrystals shape, influence of,
383–384
3D superlattices, substrates influence on,
384
3D-transition-metal (TM) nanoparticles,
248
Three-way catalysts (TWC), 310–311
Time-dependent local-density-
approximation (TD LDA), 209–210
Time resolved pump–probe experiments,
230–237
background, 230–232
electron–ion energy exchanges in
bimetallic nanoparticles, 232–234
alloyed systems, case of, 232–233
core–shell systems, case of, 233–234
vibrational resonances in bimetallic
nanoparticles, coherent excitation of,
235–237
Transition-metal nanoalloys, magnetic
properties of, 247–282
Co impurities in Cu wires, 268–271
Co–Rh nanoalloys, magnetic anisotropy
of, 264–268
416 Index

Transition-metal nanoalloys, magnetic V

properties of (Continued ) Vapor phase, nucleation and growth from,
Fe–Rh clusters, 257–264 4–6
binding energy and magnetic moments, Vegard law, 292
259–261 Vienna ab initio simulation package
electronic structure, 261–263 (VASP), 253
spin-orbit effects, 263–264
structure and chemical order, 258–259 W
Ni impurities, in Cu wires, 268–271
Wave-function-based methods, 286–287
theoretical background, 251–257
Wehnelt lens, 121
density-functional theory, 251–253
Wide-angle X-ray scattering (WAXS), 307
self-consistent tight-binding theory,
Wigner–Seitz radius, 210–211
253–257
Transmission electron microscopy (TEM),
157, 159–160, 304–305 X
conventional, 122–124 X-ray absorption near-edge structure
elastic properties, calculation of, 139–141 spectroscopy (XANES), 307
environmental, 304–305 X-ray absorption spectroscopy
high-resolution, 122, 125, 128–130 (XAS), 307
principles of, 121–124 X-ray diffraction (XRD), 157–159
scanning. See Scanning transmission X-ray interference lithography (XIL),
electron microscopy 386–388
Trimetallic catalysts, 323–324 X-ray magnetic circular dichroism
2D self-assembly of inorganic nanocrystals, (XMCD), 248–249
374–379 X-ray photoelectron spectroscopy (XPS),
substrate role on, 375–379 305–309
particles–substrate interactions, X-ray scattering
377–378 small-angle, 307
roughness of substrates, 376–377 wide-angle, 307
solvent on self-assembly processes,
378–379 Z
Z-contrast imaging, 131–133
U at sub-angström resolution in STEM,
Ultrananocatalysis, 296–298, 314–315 134–139