Hans-christian Weissker
R2
CRHC
chercheur
![weissker.jpg](http://www.cinam.univ-mrs.fr/cinam/IMG/perso/weissker.jpg)
Keywords: Ab initio calculations; DFT & TDDFT; optical properties; metal clusters; nanostructures
- Physics of nanostructures
- Solid-state physics – interface theory-experiment
- Electronic structure and excitations – optical and electronic properties, inelastic x-ray scattering
- Ab initio calculations: Density-Functional Theory (DFT) and Time-Dependent Density-Functional Theory (TDDFT)
Present research
- Optical properties of physically made metal nanoparticles, free-standing and embedded; tuning of the localized surface-plasmon resonances
- Chemically made metal clusters, ligand-core interaction
- Nanoalloys
Previous research topics
- Free and embedded semiconductor nanocrystals
- Combination (TD)DFT and molecular dynamics: temperature effects
Administrative Positions
- Coordinator International Research Network (IRN) Nanoalloys
- Steering Committee member (elected) of the European Theoretical Spectroscopy Facility (etsf.eu)
- Steering Committe member of the GDR REST (REncontres de Spectroscopie Théorique) 2015-2023
- Member (elected) of the « conseil du centre » of the CINAM 2018-2023
Teaching
- Course Modern Density-Functional Theory Applied to Solids and Nanostructures of the Collège Doctoral at Aix-Marseille University
Parcours
- Chargé de recherche (CR1 then CRN) CNRS since 10/2010, CR-HC since 10/2023
- 10/2008 – 05/2010 Post-doc at Laboratoire de physique des interfaces et couches minces (LPICM) at Ecole Polytechnique, Palaiseau, France
- 11/2004 – 09/2008 Post-doc at Laboratoire des solides irradiés (LSI) at Ecole Polytechnique, Palaiseau, France
- 10/2004 PhD at University of Jena, Allemagne
2024
Optical spectra of silver clusters and nanoparticles from 4 to 923 atoms from the TDDFT+U method
Mohit Chaudhary, Hans-Christian Weissker
Nature Communications 15:9225 (2024)10.1038/s41467-024-53428-6
Optical Properties of AgAu Alloy Clusters: Effect of Chemical Configuration along a Rearrangement Pathway
Hans-Christian Weissker, Florent Calvo
Alloys 3:31-42 (2024)10.3390/alloys3010003
2023
Visualizing screening in noble-metal clusters: static vs. dynamic
Rajarshi Sinha-Roy, Pablo García-González, Xóchitl López-Lozano, Hans-Christian Weissker
Physical Chemistry Chemical Physics 25:2075-2083 (2023)10.1039/D2CP04316E
2021
Robustness of the chiral-icosahedral golden shell I-Au 60 in multi-shell structures
S. Mullins, R. Whetten, H.-Ch. Weissker, X. López-Lozano
The Journal of Chemical Physics 155:204307 (2021)10.1063/5.0060172
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 of Physical Chemistry Letters 12:9262-9268 (2021)10.1021/acs.jpclett.1c02597
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 of Physical Chemistry Letters 12:9262-9268 (2021)10.1021/acs.jpclett.1c02597
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
Theoretical Chemistry Accounts: Theory, Computation, and Modeling 140 (2021)10.1007/s00214-021-02783-4
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
Theoretical Chemistry Accounts: Theory, Computation, and Modeling 140:91 (2021)10.1007/s00214-021-02783-4
2020
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
Nanoscale 12:4452-4458 (2020)10.1039/C9NR08608K
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
Nanoscale 12:4452-4458 (2020)10.1039/C9NR08608K
2019
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, Jean Lermé, Mathieu Kociak, Matthias Hillenkamp
Nature Physics 15:275-280 (2019)10.1038/s41567-018-0345-z
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, Ignacio L. Garzon
Accounts of Chemical Research 52:34-43 (2019)10.1021/acs.accounts.8b00481
2018
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, Marcos Alvarez, Tayler Williams, Xochitl Lopez, Hans-Christian Weissker, A. Patricio García, Ignacio Garzón, Borries Demeler, José Luis Lopez, Miguel José Yacamán, Robert Whetten
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, R. Whetten, X. López-Lozano
Nature Communications 9 (2018)10.1038/s41467-018-05215-3
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, R. Whetten, X. López-Lozano
Nature Communications 9:3352 (2018)10.1038/s41467-018-05215-3
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 14:6417-6426 (2018)
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 14:6417-6426 (2018)10.1021/acs.jctc.8b00750
2017
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
Nanoscale 9:18629-18634 (2017)10.1039/c7nr04764a
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
ACS photonics 4:1484-1493 (2017)10.1021/acsphotonics.7b00254
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 of Physical Chemistry C 121:5753-5760 (2017)10.1021/acs.jpcc.7b00581
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, Simon Weiss, M. Jason de La Cruz, David Black, Marcos Alvarez, Xóchitl López-Lozano, Christopher Barnes, Guowu Lin, Hans-Christian Weissker, Robert Whetten, Tamir Gonen, Miguel Jose Yacaman, Guillermo Calero
Journal of Physical Chemistry Letters 8:5523-5530 (2017)10.1021/acs.jpclett.7b02621
2015
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
Surface plasmons in quantum-sized noble-metal clusters: TDDFT quantum calculations and the classical picture of charge oscillations
H.-C. Weissker, X. Lopez-Lozano
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
2014
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
Physical Chemistry Chemical Physics 16:1820-1823 (2014)10.1039/c3cp53702a
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
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, G. Ramakrishna, R.L. Whetten, X. Lopez Lozano
2013
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
Effect of Alloying on the Optical Properties of Ag-Au Nanoparticles
X.L. Lozano, C. Mottet, H.C. Weissker
Ab Initio Electronic Gaps of Ge Nanodots: The Role of Self-Energy Effects
M. Marsili, Silvana Botti, M. Palummo, E. Degoli, O. Pulci, H.-C. Weissker, M.A.L. Marques, S. Ossicini, R. del Sole
Journal of Physical Chemistry C 117:14229−1423 (2013)10.1021/jp3121269