Hans-christian Weissker

Localisation

R2

Grade

CRHC

Fonction

chercheur

weissker.jpg

Activity

Keywords: Ab initio calculations; DFT & TDDFT; optical properties; metal clusters; nanostructures

Thèmes

  • 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)

Recherche

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

Parcours

Administrative Positions

  • Steering Committee member (elected) of the European Theoretical Spectroscopy Facility (etsf.eu)
  • Steering Committe member of the GDR REST (REncontres de Spectroscopie Théorique)
  • Member (elected) of the « conseil du centre » of the CINAM

Teaching 

Parcours

  • Chargé de recherche (CR1, then CRN) at CNRS since 10/2010
  • 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

Publications

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

Journal of Chemical Physics 155:204307 (2021)10.1063/5.0060172

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

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

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

ACS Applied Nano Materials 1:1595-1602 (2018)

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

Nanoscale 7:4942 (2015)

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 17:28379-28386 (2015)

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 119:11250-11259 (2015)

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

Physical Chemistry Chemical Physics 16:12495 (2014)

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

Nature Communications 5:3785 (2014)

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

Journal of Physical Chemistry C 117:21450-21459 (2013)

Effect of Alloying on the Optical Properties of Ag-Au Nanoparticles

X.L. Lozano, C. Mottet, H.C. Weissker

Journal of Physical Chemistry C 117:3062-3068 (2013)

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

2012

Structure and properties of nanoscale materials: theory and atomistic computer simulation

C. Bichara, P. Marsal, C. Mottet, R. Pellenq, F. Ribeiro, A. Saul, G. Tréglia, H.C. Weissker

International Journal of Nanotechnology 9:576-604 (2012)10.1504/IJNT.2012.045335

2011

Dynamical response function in sodium studied by inelastic x-ray scattering spectroscopy

S. Huotani, M. Cazzaniga, H.-C. Weissker, T. Pykkanen, H. Muller, L. Reining, G. Onida, G. Monaco

Physical Review B: Condensed Matter and Materials Physics (1998-2015) 84:075108 (2011)10.1103/PhysRevB.84.075108