Publications related to Singlet state

Resonant Tip-Enhanced Raman Spectroscopy of a Single-Molecule Kondo System

Tip-enhanced Raman spectroscopy (TERS) under ultrahigh vacuum and cryogenic conditions enables exploration of the relations between the adsorption geometry, electronic state, and vibrational fingerprints of individual molecules. TERS capability of reflecti ...

Amer Chemical Soc2024

Numerical investigation of bound states in quantum magnets

Mithilesh Nayak

Bound-states of particles are an interesting problem in quantum mechanics dating back to 1931 Bethe's solution of spin-1/2 Heisenberg chain. These exotic composite states are realized in quantum magnets and are detectable in inelastic neutron scattering (I ...

EPFL2023

Symmetry-Induced Singlet-Triplet Inversions in Non-Alternant Hydrocarbons

Anne-Clémence Corminboeuf, Jacob Terence Blaskovits, Marc Hamilton Folkmann Garner

Molecules with inversion of the singlet and triplet excited-state energies are highly promising for the development of organic light-emitting diodes (OLEDs). To date, azaphenalenes are the only class of molecules where these inversions have been identified ...

Wiley-VCH Verlag GmbH2023

Single molecule fluorescence and phosphorescence studies using a scanning tunneling microscope

Abhishek Grewal

This thesis investigates novel single-molecule luminescence phenomena at their inherent, sub-molecular length scale. The microscopic understanding of luminescence processes will be crucial for the continued improvement of organic optoelectronic and semicon ...

EPFL2022

Fully Tunable Longitudinal Spin-Photon Interactions in Si and Ge Quantum Dots

Pasquale Scarlino

Spin qubits in silicon and germanium quantum dots are promising platforms for quantum computing, but entangling spin qubits over micrometer distances remains a critical challenge. Current prototypical architectures maximize transversal interactions between ...

AMER PHYSICAL SOC2022

Superexchange mechanism and quantum many body excitations in the archetypal di-Cu oxo-bridge

Edward Baxter Linscott, Cédric Weber

The hemocyanin protein binds and transports molecular oxygen via two copper atoms at its core. The singlet state of the Cu2O2 core is thought to be stabilised by a superexchange pathway, but detailed in situ computational analysis is complicated by the mul ...

NATURE PUBLISHING GROUP2020

Thermal spin crossover in Fe(ii) and Fe(iii). Accurate spin state energetics at the solid state

Sergio Vela Llausi, Maria Fumanal Quintana

The thermal spin crossover (SCO) phenomenon refers to an entropy-driven spin transition in some materials based on d(6)-d(9) transition metal complexes. While its molecular origin is well known, intricate SCO behaviours are increasingly common, in which th ...

ROYAL SOC CHEMISTRY2020

Ultrafast X-ray Spectroscopy of Heme Proteins

Dominik Kinschel

With the advent of X-ray free-electron lasers (XFELs) time-resolved X-ray spectroscopic techniques have advanced to the femtosecond regime. These are element selective techniques which offer unique insight into the electronic and chemical environment and d ...

EPFL2020

Mixed scalar-current bootstrap in three dimensions

Alessandro Vichi, Marten Jan Reehorst

We study the mixed system of correlation functions involving a scalar field charged under a global U(1) symmetry and the associated conserved spin-1 current J(mu). Using numerical bootstrap techniques we obtain bounds on new observables not accessible in t ...

Springer Nature2020

Toward time-resolved laser T-jump/X-ray probe spectroscopy in aqueous solutions

Majed Chergui, Giulia Fulvia Mancini, Camila Bacellar Cases Da Silveira, Dominik Kinschel, Oliviero Cannelli, Rebecca Ann Ingle, Benjamin Bauer

Most chemical and biochemical reactions in nature and in industrial processes are driven by thermal effects that bring the reactants above the energy barrier for reaction. In aqueous solutions, this process can also be triggered by the laser driven tempera ...

2019

A systematic investigation on the bactericidal transient species generated by photo-sensitization of natural organic matter (NOM) during solar and photo Fenton disinfection of surface waters

César Pulgarin, Stefanos Giannakis, Mona Kohantorabi, Ling Feng

In this work, the role of dissolved oxygen in the solar and the photo-Fenton-mediated E. coli inactivation process was put under scrutiny. The effect of transient species that were produced in the presence of various natural organic matter isolates (NOM), ...

ELSEVIER SCIENCE BV2019

Non-equilibrium dynamics of di-platinum complexes and molecular dyes in solution: Insights from transient absorption and two-dimensional Fourier transform spectroscopy

Lars-Hendrik Mewes

Unraveling the interplay between electronic- and vibrational degrees of freedom on the earliest time scales of physical, chemical and biological processes is crucial to gaining insight into the mechanisms that govern the world around us, since it is during ...

EPFL2019

On the Generality of Molecular Volcano Plots

Matthew Wodrich, Anne-Clémence Corminboeuf, Michael Markus Busch, Boodsarin Sawatlon

In homogeneous catalysis, the structure and electronic config-uration of the active catalysts can vary significantly. Changes inligation, oxidation, and spin states have the potential to influ-ence the catalytic cycle energet ics strongly that, to a larged ...

Wiley-VCH Verlag2018

Photoinduced disinfection in sunlit natural waters: Measurement of the second order inactivation rate constants between E-coli and photogenerated transient species

César Pulgarin, Stefanos Giannakis, Jean Arnaud Troyon

This work uncovers the implications of the estimation of exogenous inactivation rates for E. coli after the initial lag phase, and presents a strategy for the determination of the second-order inactivation rate constants (k2nd) of these bacteria with relev ...

PERGAMON-ELSEVIER SCIENCE LTD2018

Photophysical Heavy-Atom Effect in Iodinated Metallocorroles: Spin-Orbit Coupling and Density of States

Majed Chergui, Enrico Pomarico, Marine Eva Fedora Bouduban

Excited-state dynamics and electronic structures of Al and Ga corrole complexes were studied as a function of the number of beta-pyrrole iodine substituents. Using spectrally broad-band femtosecond-resolved fluorescence upconversion, we determined the kine ...

AMER CHEMICAL SOC2018

Nodeless superconductivity in the noncentrosymmetric Mo3Rh2N superconductor: A mu SR study

Joël Mesot

The noncentrosymmetric superconductor Mo3Rh2N, with T-c = 4.6 K, adopts a beta-Mn-type structure (space group P4(1)32), similar to that of Mo3Al2C. Its bulk superconductivity was characterized by magnetization and heat-capacity measurements, while its micr ...

AMER PHYSICAL SOC2018

Conservation of vibrational coherence in ultrafast electronic relaxation: The case of diplatinum complexes in solution

Majed Chergui, Dominik Kinschel, Gerald Auböck, Roberto Monni, Kathrin Maria Aziz-Lange

We report the results of ultrafast transient absorption studies of tetrakis(l-pyrophosphito) diplatinate(II), Pt-2(mu-P(2)O(5)H2)(4) (Pt(pop)) and its perfluoroborated derivative Pt-2(mu-P2O5(BF2)(4) (Pt(pop-BF2)) in water and acetonitrile upon e ...

Elsevier2017

A pulse sequence for singlet to heteronuclear magnetization transfer: S2hM

Gabriele Stevanato

We have recently demonstrated, in the context of para-hydrogen induced polarization (PHIP), the conversion of hyperpolarized proton singlet order into heteronuclear magnetisation can be efficiently achieved via a new sequence named S2hM (Singlet to heteron ...

Academic Press Inc - Elsevier Science2017

Resolving the spin splitting in the conduction band of monolayer MoS2

Andras Kis, Ahmet Avsar, Kolyo Marinov

Time-reversal symmetry and broken spin degeneracy enable the exploration of spin and valley quantum degrees of freedom in monolayer transition-metal dichalcogenides. While the strength of the large spin splitting in the valance band of these materials is n ...

Nature Publishing Group2017

Room temperature manipulation of long lifetime spins in metallic-like carbon nanospheres

László Forró, Bálint Náfrádi

The time-window for processing electron spin information (spintronics) in solid-state quantum electronic devices is determined by the spin-lattice and spin-spin relaxation times of electrons. Minimizing the effects of spin-orbit coupling and the local magn ...

Nature Publishing Group2016