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Optical Properties of AgAu Alloy Clusters: Effect of Chemical Configuration along a Rearrangement Pathway
Hans-Christian Weissker
,
Florent Calvo
Journal articles
hal-04882452v1
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Optical spectra of silver clusters and nanoparticles from 4 to 923 atoms from the TDDFT+U method
Mohit Chaudhary
,
Hans-Christian Weissker
Journal articles
hal-04780145v1
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Visualizing screening in noble-metal clusters: static vs. dynamic
Rajarshi Sinha-Roy
,
Pablo García-González
,
Xóchitl López-Lozano
,
Hans-Christian Weissker
Journal articles
hal-03935113v1
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Crucial Role of Conjugation in Monolayer-Protected Metal Clusters with Aromatic Ligands: Insights from the Archetypal Au 144 L 60 Cluster Compounds
Rajarshi Sinha-Roy
,
Xóchitl López-Lozano
,
Robert Whetten
,
Hans-Christian Weissker
Journal articles
hal-04226800v1
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Robustness of the chiral-icosahedral golden shell I-Au 60 in multi-shell structures
S. Mullins
,
R. Whetten
,
H.-Ch. Weissker
,
X. López-Lozano
Journal articles
hal-03462070v1
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Optical properties of $$\hbox {Ag}_{29}$$(BDT)$$_{12}$$(TPP)$$_4$$ in the VIS and UV and influence of ligand modeling based on real-time electron dynamics
Rajarshi Sinha-Roy
,
Xóchitl López-Lozano
,
Robert Whetten
,
Hans-Christian Weissker
Journal articles
hal-04226794v1
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Optical properties of Ag$_{29}$(BDT)$_{12}$(TPP)$_4$ in the VIS and UV and influence of ligand modeling based on real-time electron dynamics
Rajarshi Sinha-Roy
,
Xóchitl López-Lozano
,
Robert Whetten
,
H.C. Weissker
Journal articles
hal-03427436v1
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Crucial Role of Conjugation in Monolayer-Protected Metal Clusters with Aromatic Ligands: Insights from the Archetypal Au$_{144}$L$_{60}$ Cluster Compounds
Rajarshi Sinha-Roy
,
Xóchitl López-Lozano
,
Robert Whetten
,
H.C. Weissker
Journal articles
hal-03427440v1
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How metallic are noble-metal clusters? Static screening and polarizability in quantum-sized silver and gold nanoparticles
Rajarshi Sinha-Roy
,
Pablo García-González
,
Hans-Christian Weissker
Journal articles
hal-04226786v1
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How metallic are noble-metal clusters? Static screening and polarizability in quantum-sized silver and gold nanoparticles
Rajarshi Sinha-Roy
,
Pablo García-González
,
Hans-Christian Weissker
Journal articles
hal-02495773v1
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Chiral-Icosahedral ( I ) Symmetry in Ubiquitous Metallic Cluster Compounds (145A,60X): Structure and Bonding Principles
Robert Whetten
,
Hans-Christian Weissker
,
J. Jesús Pelayo
,
Sean M. Mullins
,
Xóchitl López-Lozano
Journal articles
hal-02002294v1
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Plasmonic quantum size effects in silver nanoparticles are dominated by interfaces and local environments
Alfredo Campos
,
Nicolas Troc
,
Emmanuel Cottancin
,
Michel Pellarin
,
Hans-Christian Weissker
Journal articles
hal-02003839v1
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Chiral symmetry breaking yields the I-Au60 perfect golden shell of singular rigidity
S.-M. Mullins
,
H.-Ch. Weissker
,
R. Sinha-Roy
,
J. Pelayo
,
I. Garzón
Journal articles
hal-04226770v1
|
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Identifying Electronic Modes by Fourier Transform from δ-Kick Time-Evolution TDDFT Calculations
Rajarshi Sinha-Roy
,
Pablo García-González
,
Xóchitl López Lozano
,
Robert Whetten
,
Hans-Christian Weissker
Journal of Chemical Theory and Computation, 2018, 14 (12), pp.6417-6426
Journal articles
hal-02002239v1
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Tetrahedral ( T ) Closed-Shell Cluster of 29 Silver Atoms & 12 Lipoate Ligands, [Ag 29 (R-α-LA) 12 ] (3−) : Antibacterial and Antifungal Activity
Priscilla Lopez
,
Humberto Lara
,
Sean M. Mullins
,
David M. Black
,
Heidi M. Ramsower
ACS Applied Nano Materials, 2018, 1 (4), pp.1595-1602
Journal articles
hal-02002284v1
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Chiral symmetry breaking yields the I-Au60 perfect golden shell of singular rigidity
S.-M. Mullins
,
H.-Ch. Weissker
,
R. Sinha-Roy
,
J. Pelayo
,
I. Garzón
Journal articles
hal-01958555v1
|
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Identifying Electronic Modes by Fourier Transform from δ-Kick Time-Evolution TDDFT Calculations
Rajarshi Sinha-Roy
,
Pablo García-González
,
Xóchitl López Lozano
,
Robert Whetten
,
Hans-Christian Weissker
Journal articles
hal-04226775v1
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MicroED Structure of Au 146 (p-MBA) 57 at Subatomic Resolution Reveals a Twinned FCC Cluster
Sandra Vergara
,
Dylan Lukes
,
Michael Martynowycz
,
Ulises Santiago
,
Germán Plascencia-Villa
Journal articles
hal-01720306v1
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Classical and ab Initio Plasmonics Meet at Sub-nanometric Noble Metal Rods
Rajarshi Sinha-Roy
,
Pablo García-González
,
Hans-Christian Weissker
,
Franck Rabilloud
,
Antonio Fernández-Domínguez
Journal articles
hal-01784859v1
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In Search of the Quantum-Electronic Origin of Color Change: Elucidation of the Subtle Effects of Alloying with Copper on ≈1.8 nm Gold Nanoclusters
Rajarshi Sinha-Roy
,
Xóchitl López-Lozano
,
R. Whetten
,
Pablo García-González
,
H.-Ch. Weissker
Journal articles
hal-01720730v1
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Is the largest aqueous gold cluster a superatom complex? Electronic structure & optical response of the structurally determined Au 146 ( p -MBA) 57
Xóchitl López-Lozano
,
G. Plascencia-Villa
,
G. Calero
,
R. Whetten
,
Hans-Christian Weissker
Journal articles
hal-01720302v1
|
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Surface plasmons in quantum-sized noble-metal clusters: TDDFT quantum calculations and the classical picture of charge oscillations
H.-C. Weissker
,
X. Lopez-Lozano
Physical Chemistry Chemical Physics, 2015, 17 (42), pp.28379-28386
Journal articles
hal-01222107v1
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Optical Spectra of the Special Au-144 Gold-Cluster Compounds: Sensitivity to Structure and Symmetry
H.C. Weissker
,
O. Lopez Acevedo
,
R.L. Whetten
,
X. Lopez Lozano
Journal of Physical Chemistry C, 2015, 119 (20), pp.11250-11259
Journal articles
hal-01171377v1
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Temperature dependence of the radiative lifetimes in Ge and Si nanocrystals
N.C. Forero-Martinez
,
H.L. Le Thi
,
L. Ning
,
H. Vach
,
H.-C. Weissker
Nanoscale, 2015, 7, pp.4942
Journal articles
hal-01130369v1
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Optical response of quantum-sized Ag and Au clusters --- cage vs. compact structures and the remarkable insensitivity to compression
H-C. Weissker
,
R.L. Whetten
,
X. Lopez-Lozano
Physical Chemistry Chemical Physics, 2014, 16, pp.12495
Journal articles
hal-01021096v1
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Aspect-ratio- and size-dependent emergence of the surface-plasmon resonance in gold nanorods - an ab initio TDDFT study
X. Lopez-Lozano
,
H. Barron
,
C. Mottet
,
H.-C. Weissker
Journal articles
hal-00975047v1
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Information on quantum states pervades the visible spectrum of the ubiquitous Au144(SR)60 gold nanocluster
H.Ch. Weissker
,
H. Barron Escobar
,
V.D. Thanthirige
,
K. Kwark
,
D. Lee
Nature Communications, 2014, 5, pp.3785
Journal articles
hal-00992927v1
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Trends and Properties of 13-Atom Ag-Au Nanoalloys I: Structure and Electronic Properties
H. Barron
,
L. Fernandez-Seivane
,
H.C. Weissker
,
X. Lopez-Lozano
Journal of Physical Chemistry C, 2013, 117 (41), pp.21450-21459
Journal articles
hal-00919571v1
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Ab Initio Electronic Gaps of Ge Nanodots: The Role of Self-Energy Effects
M. Marsili
,
Silvana Botti
,
M. Palummo
,
E. Degoli
,
O. Pulci
Journal articles
hal-00975046v1
|
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Effect of Alloying on the Optical Properties of Ag-Au Nanoparticles
X.L. Lozano
,
C. Mottet
,
H.C. Weissker
Journal of Physical Chemistry C, 2013, 117 (6), pp.3062-3068
Journal articles
hal-00843729v1
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Structure and properties of nanoscale materials: theory and atomistic computer simulation
C. Bichara
,
P. Marsal
,
C. Mottet
,
R. Pellenq
,
F. Ribeiro
Journal articles
hal-00697530v1
|
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Optical properties of pure and core-shell noble-metal nanoclusters from TDDFT: The influence of the atomic structure
H.C. Weissker
,
C. Mottet
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84, pp.165443
Journal articles
hal-00695999v1
|
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Dynamical response function in sodium and aluminum from time-dependent density-functional theory
Marco Cazzaniga
,
H.-C. Weissker
,
Simo Huotari
,
Tuomas Pylkkänen
,
Paolo Salvestrini
Journal articles
hal-00696002v1
|
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Luminescence and absorption in germanium and silicon nanocrystals: The influence of compression, surface reconstruction, optical excitation, and spin-orbit splitting
H.C. Weissker
,
N. Ning
,
F. Bechstedt
,
H. Vach
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 83 (12), pp.125413
Journal articles
hal-00603252v1
|
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Dynamical response function in sodium studied by inelastic x-ray scattering spectroscopy
S. Huotani
,
M. Cazzaniga
,
H.-C. Weissker
,
T. Pykkanen
,
H. Muller
Journal articles
hal-00696001v1
|
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Dynamic structure factor and dielectric function of silicon for finite momentum transfer: Inelastic x-ray scattering experiments and ab initio calculations
Hans-Christian Weissker
,
Fabien Bruneval
,
Francesco Sottile
,
Valerio Olevano
,
Lucia Reining
Journal articles
hal-00960172v1
|
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Alloying effects on the optical properties of Ge1−xSix nanocrystals from time-dependent density functional theory and comparison with effective-medium theory
Silvana Botti
,
Hans-Christian Weissker
,
Miguel A. L. Marques
Journal articles
hal-00438318v1
|
|
Interpolation between spectra satisfying sum rules
Hans-Christian Weissker
,
Ralf Hambach
,
Valerio Olevano
,
Lucia Reining
Journal articles
hal-00960180v1
|
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Optical properties of Si and Ge nanocrystals: Parameter-free calculations
L. E. Ramos
,
H.-Ch. Weissker
,
J. Furthmüller
,
F. Bechstedt
physica status solidi (b), 2005, 242, pp.3053-3063
Journal articles
hal-00097114v1
|
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Classical versus ab initio structural relaxation: electronic excitations and optical properties of Ge nanocrystals embedded in an SiC matrix
G. Cappellini
,
H-Ch Weissker
,
D. de Salvador
,
J. Furthmüller
,
F. Bechstedt
Journal of Physics: Condensed Matter, 2005, 17, pp.643
Journal articles
hal-00020648v1
|
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Long range contribution to the exchange-correlation kernel of time-dependent density functional theory
Silvana Botti
,
F. Sottile
,
N. Vast
,
Valério Olevano
,
L. Reining
Journal articles
hal-00438371v1
|