100 latest LACUS publications

Journal Articles

2021

How important are the residual nonadiabatic couplings for an accurate simulation of nonadiabatic quantum dynamics in a quasidiabatic representation?

S. Choi; J. Vaníček 

The Journal of Chemical Physics. 2021-03-25. Vol. 154, num. 12, p. 124119. DOI : 10.1063/5.0046067.

Finite-Temperature, Anharmonicity, and Duschinsky Effects on the Two-Dimensional Electronic Spectra from Ab Initio Thermo-Field Gaussian Wavepacket Dynamics

T. Begušić; J. Vaníček 

The Journal of Physical Chemistry Letters. 2021-03-18. Vol. 12, num. 11, p. 2997-3005. DOI : 10.1021/acs.jpclett.1c00123.

Classical Spin Liquid or Extended Critical Range in h-YMnO3?

S. Janas; J. Lass; A-E. Tutueanu; M. L. Haubro; C. Niedermayer et al. 

Physical Review Letters. 2021-03-11. Vol. 126, num. 10, p. 107203. DOI : 10.1103/PhysRevLett.126.107203.

Hyaluronan orders water molecules in its nanoscale extended hydration shells

J. Dedic; H. Okur; S. Roke 

Science Advances. 2021-03-01. Vol. 7, num. 10, p. eabf2558. DOI : 10.1126/sciadv.abf2558.

Strain wave pathway to semiconductor-to-metal transition revealed by time-resolved X-ray powder diffraction

C. Mariette; M. Lorenc; H. Cailleau; E. Collet; L. Guerin et al. 

Nature Communications. 2021-02-23. Vol. 12, num. 1, p. 1239. DOI : 10.1038/s41467-021-21316-y.

Controlling the immobilization process of an optically enhanced protein microarray for highly reproducible immunoassay

D. Zhang; W. Dai; H. Hu; W. Chen; Y. Liu et al. 

Nanoscale. 2021-02-21. Vol. 13, num. 7, p. 4269-4277. DOI : 10.1039/d0nr08407g.

Ultrafast Momentum-Resolved Free-Electron Probing of Optically Pumped Plasmon Thermal Dynamics

V. Mkhitaryan; E. J. C. Dias; F. Carbone; F. J. Garcia de Abajo 

Acs Photonics. 2021-02-17. Vol. 8, num. 2, p. 614-624. DOI : 10.1021/acsphotonics.0c01758.

Structure-Property Relationships in Bithiophenes with Hydrogen-Bonded Substituents

B. Ozen; F. F. Tirani; K. Schenk; K-H. Lin; R. Scopelliti et al. 

Chemistry-A European Journal. 2021-02-15. Vol. 27, num. 10, p. 3348-3360. DOI : 10.1002/chem.202003113.

Smooth GaN membranes by polarization-assisted electrochemical etching

J. Ciers; M. A. Bergmann; F. Hjort; Carlin; N. Grandjean et al. 

Applied Physics Letters. 2021-02-08. Vol. 118, num. 6, p. 062107. DOI : 10.1063/5.0034898.

Dark-level trapping, lateral confinement, and built-in electric field contributions to the carrier dynamics in c-plane GaN/AlN quantum dots emitting in the UV range

M. Hrytsaienko; M. Gallart; M. Ziegler; O. Cregut; S. Tamariz et al. 

Journal Of Applied Physics. 2021-02-07. Vol. 129, num. 5, p. 054301. DOI : 10.1063/5.0038733.

Inverse design of diffractive optical elements using step-transition perturbation approach

D. C. Kim; A. Hermerschmidt; P. Dyachenko; T. Scharf 

Advanced Optical Technologies. 2021-02-01. Vol. 10, num. 1, p. 39-47. DOI : 10.1515/aot-2020-0046.

Electrical transport properties of Ru1-xTixO2 films deposited by magnetron sputtering technique

R. Sanjines; C. S. Sandu 

Solid State Communications. 2021-02-01. Vol. 324, p. 114129. DOI : 10.1016/j.ssc.2020.114129.

3D reconstruction of weakly scattering objects from 2D intensity-only measurements using the Wolf transform

A. B. Ayoub; J. Lim; E. E. Antoine; D. Psaltis 

Optics Express. 2021-02-01. Vol. 29, num. 3, p. 3976-3984. DOI : 10.1364/OE.414543.

Self-consistent Hubbard parameters from density-functional perturbation theory in the ultrasoft and projector-augmented wave formulations

I. Timrov; N. Marzari; M. Cococcioni 

Physical Review B. 2021-01-29. Vol. 103, num. 4, p. 045141. DOI : 10.1103/PhysRevB.103.045141.

Triplons, magnons, and spinons in a single quantum spin system: SeCuO3

L. Testa; V. Surija; K. Prsa; P. Steffens; M. Boehm et al. 

Physical Review B. 2021-01-25. Vol. 103, num. 2, p. L020409. DOI : 10.1103/PhysRevB.103.L020409.

Gαi1 inhibition mechanism of ATP-bound adenylyl cyclase type 5

D. Narzi; S. C. van Keulen; U. Röthlisberger 

PLOS ONE. 2021-01-25. Vol. 16, num. 1, p. e0245197. DOI : 10.1371/journal.pone.0245197.

Dynamical properties of a driven dissipative dimerized S=1/2 chain

M. Yarmohammadi; C. Meyer; B. Fauseweh; B. Normand; G. S. Uhrig 

Physical Review B. 2021-01-22. Vol. 103, num. 4, p. 045132. DOI : 10.1103/PhysRevB.103.045132.

Evolution and ion kinetics of a XUV-induced nanoplasma in ammonia clusters

R. Michiels; A. C. LaForge; M. Bohlen; C. Callegari; A. Clark et al. 

Journal of Physics B: Atomic, Molecular and Optical Physics. 2021-01-20. Vol. 54, num. 2, p. 024002. DOI : 10.1088/1361-6455/abcf80.

Shannon entropy and degree of polarization of a speckle pattern

A. Roy 

Optics Letters. 2021-01-15. Vol. 46, num. 2, p. 202-205. DOI : 10.1364/OL.415381.

Size of National Assemblies: The Classic Derivation of the Cube-Root Law is Conceptually Flawed

G. Margaritondo 

Frontiers In Physics. 2021-01-15. Vol. 8, p. 614596. DOI : 10.3389/fphy.2020.614596.

Successive training of a generative adversarial network for the design of an optical cloak

A-P. Blanchard-Dionne; O. J. F. Martin 

Osa Continuum. 2021-01-15. Vol. 4, num. 1, p. 87-95. DOI : 10.1364/OSAC.413394.

Defect incorporation in In-containing layers and quantum wells: experimental analysis via deep level profiling and optical spectroscopy

F. Piva; C. De Santi; A. Caria; C. Haller; J. F. Carlin et al. 

Journal Of Physics D-Applied Physics. 2021-01-14. Vol. 54, num. 2, p. 025108. DOI : 10.1088/1361-6463/abb727.

Handy water: Chiral superstructures around peptide beta-sheets

S. Pullanchery; S. Roke 

Proceedings Of The National Academy Of Sciences Of The United States Of America. 2021-01-12. Vol. 118, num. 2, p. e2024376118. DOI : 10.1073/pnas.2024376118.

Profiling novel high-conductivity 2D semiconductors

T. Sohier; M. Gibertini; N. Marzari 

2D Materials. 2021-01-01. Vol. 8, num. 1, p. 015025. DOI : 10.1088/2053-1583/abc5d0.

Thermomechanical properties of honeycomb lattices from internal-coordinates potentials: the case of graphene and hexagonal boron nitride

F. Libbi; N. Bonini; N. Marzari 

2D Materials. 2021-01-01. Vol. 8, num. 1, p. 015026. DOI : 10.1088/2053-1583/abc5ce.

Fluorescence-Based and Fluorescent Label-Free Characterization of Polymer Nanoparticle Decorated T Cells

T. Thomsen; A. B. Ayoub; D. Psaltis; H-A. Klok 

Biomacromolecules. 2021-01-01. Vol. 22, num. 1, p. 190-200. DOI : 10.1021/acs.biomac.0c00969.

2020

Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds

I. Timrov; F. Aquilante; L. Binci; M. Cococcioni; N. Marzari 

Physical Review B. 2020-12-28. Vol. 102, num. 23, p. 235159. DOI : 10.1103/PhysRevB.102.235159.

Nanodiamond Relaxometry-Based Detection of Free-Radical Species When Produced in Chemical Reactions in Biologically Relevant Conditions

F. P. Martinez; A. C. Nusantara; M. Chipaux; S. K. Padamati; R. Schirhagl 

Acs Sensors. 2020-12-24. Vol. 5, num. 12, p. 3862-3869. DOI : 10.1021/acssensors.0c01037.

Nonreciprocity in Bianisotropic Systems with Uniform Time Modulation

X. Wang; G. Ptitcyn; V. S. Asadchy; A. Diaz-Rubio; M. S. Mirmoosa et al. 

Physical Review Letters. 2020-12-22. Vol. 125, num. 26, p. 266102. DOI : 10.1103/PhysRevLett.125.266102.

Interplay of anomalous strain relaxation and minimization of polarization changes at nitride semiconductor heterointerfaces

Y. Wang; M. Schnedler; Q. Lan; F. Zheng; L. Freter et al. 

Physical Review B. 2020-12-21. Vol. 102, num. 24, p. 245304. DOI : 10.1103/PhysRevB.102.245304.

3D Silver Dendrites for Single-molecule Imaging by Surface-enhanced Raman Spectroscopy

H. V. Bandarenka; N. V. Khinevich; A. A. Burko; S. V. Redko; S. A. Zavatski et al. 

Chemnanomat. 2020-12-16. DOI : 10.1002/cnma.202000521.

Long-range magnetic ordering in Li2MnGeO4 and precursor short-range spin correlations

A. N. Korshunov; A. Kurbakov; I. A. Safiulina; A. E. Susloparova; V. Y. Pomjakushin et al. 

Physical Review B. 2020-12-15. Vol. 102, num. 21, p. 214420. DOI : 10.1103/PhysRevB.102.214420.

Staggered flux state for rectangular-lattice spin-1/2 Heisenberg antiferromagnets

N. E. Shaik; B. Dalla Piazza; D. A. Ivanov; H. M. Ronnow 

Physical Review B. 2020-12-14. Vol. 102, num. 21, p. 214413. DOI : 10.1103/PhysRevB.102.214413.

Charge transfer enhanced magnetic correlations in type-II multiferroic Co3TeO6

C-H. Lee; E. Batsaikhan; M-H. Ma; W-H. Li; C-W. Wang et al. 

Journal Of The Chinese Chemical Society. 2020-12-10. DOI : 10.1002/jccs.202000472.

Deep traps in InGaN/GaN single quantum well structures grown with and without InGaN underlayers

A. Y. Polyakov; C. Haller; R. Butte; N. B. Smirnov; L. A. Alexanyan et al. 

Journal Of Alloys And Compounds. 2020-12-10. Vol. 845, p. 156269. DOI : 10.1016/j.jallcom.2020.156269.

Intermolecular Resonance Correlates Electron Pairs Down a Supermolecular Chain: Antiferromagnetism in K-Doped p-Terphenyl

N. A. Gadjieva; P. Szirmai; O. Sagi; P. Alemany; A. K. Bartholomew et al. 

Journal Of The American Chemical Society. 2020-12-09. Vol. 142, num. 49, p. 20624-20630. DOI : 10.1021/jacs.0c05606.

Theory and Computation of Hall Scattering Factor in Graphene

F. Macheda; S. Ponce; F. Giustino; N. Bonini 

Nano Letters. 2020-12-09. Vol. 20, num. 12, p. 8861-8865. DOI : 10.1021/acs.nanolett.0c03874.

Hybrid Metal-Dielectric Metasurfaces for Refractive Index Sensing

D. Ray; T. Raziman; C. Santschi; D. Etezadi; H. Altug et al. 

Nano Letters. 2020-12-09. Vol. 20, num. 12, p. 8752-8759. DOI : 10.1021/acs.nanolett.0c03613.

Kilogram-Scale Crystallogenesis of Halide Perovskites for Gamma-Rays Dose Rate Measurements

P. Andricevic; P. Frajtag; V. P. Lamirand; A. Pautz; M. Kollar et al. 

Advanced Science. 2020-12-09.  p. 2001882. DOI : 10.1002/advs.202001882.

Atomic-Resolution Imaging of Fast Nanoscale Dynamics with Bright Microsecond Electron Pulses

P. K. Olshin; G. Bongiovanni; M. Drabbels; U. Lorenz 

Nano Letters. 2020-12-03. Vol. 20, num. 13 (in progress). DOI : 10.1021/acs.nanolett.0c04184.

Inference in artificial intelligence with deep optics and photonics

G. Wetzstein; A. Ozcan; S. Gigan; S. Fan; D. Englund et al. 

Nature. 2020-12-03. Vol. 588, num. 7836, p. 39-47. DOI : 10.1038/s41586-020-2973-6.

Which form of the molecular Hamiltonian is the most suitable for simulating the nonadiabatic quantum dynamics at a conical intersection?

S. Choi; J. Vanicek 

The Journal of Chemical Physics. 2020-12-02. Vol. 153, num. 21, p. 211101. DOI : 10.1063/5.0033410.

Design of auxiliary systems for spectroscopy

M. Vanzini; F. Sottile; I. Reshetnyak; S. Ciuchi; L. Reining et al. 

Faraday Discussions. 2020-12-01. Vol. 224, p. 424-447. DOI : 10.1039/d0fd00067a.

Full field dependence of primary aberrations in perturbed double-plane symmetric systems with a circular pupil

A. Grosso; T. Scharf 

Journal Of The Optical Society Of America A-Optics Image Science And Vision. 2020-12-01. Vol. 37, num. 12, p. 1999-2013. DOI : 10.1364/JOSAA.404953.

Bell correlations between light and vibration at ambient conditions

S. T. Velez; V. Sudhir; N. Sangouard; C. Galland 

Science Advances. 2020-12-01. Vol. 6, num. 51, p. eabb0260. DOI : 10.1126/sciadv.abb0260.

Resonant inelastic x-ray scattering study of Ca3Ru2O7

K. von Arx; F. Forte; M. Horio; V. Granata; Q. Wang et al. 

Physical Review B. 2020-12-01. Vol. 102, num. 23, p. 235104. DOI : 10.1103/PhysRevB.102.235104.

Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain**

S. Vela; A. Scheidegger; R. Fabregat; C. Corminboeuf 

Chemistry-A European Journal. 2020-11-26. DOI : 10.1002/chem.202003926.

Crown Ether Modulation Enables over 23% Efficient Formamidinium-Based Perovskite Solar Cells

T-S. Su; F. T. Eickemeyer; M. A. Hope; F. Jahanbakhshi; M. Mladenovic et al. 

Journal Of The American Chemical Society. 2020-11-25. Vol. 142, num. 47, p. 19980-19991. DOI : 10.1021/jacs.0c08592.

Too Many Materials and Too Many Applications: An Experimental Problem Waiting for a Computational Solution

D. Ongari; L. Talirz; B. Smit 

Acs Central Science. 2020-11-25. Vol. 6, num. 11, p. 1890-1900. DOI : 10.1021/acscentsci.0c00988.

Quantum spin-liquid states in an organic magnetic layer and molecular rotor hybrid

P. Szirmai; C. Meziere; G. Bastien; P. Wzietek; P. Batail et al. 

Proceedings Of The National Academy Of Sciences Of The United States Of America. 2020-11-24. Vol. 117, num. 47, p. 29555-29560. DOI : 10.1073/pnas.2000188117.

Structural characterization and magnetic properties of chromium jarosite KCr3(OD)(6)(SO4)(2)

S. Janas; M. B. Sorensen; A. B. A. Andersen; M. Juelsholt; M. Boehm et al. 

Physical Chemistry Chemical Physics. 2020-11-21. Vol. 22, num. 43, p. 25001-25010. DOI : 10.1039/d0cp04978f.

Metastable and localized Ising magnetism in alpha-CoV2O6 magnetization plateaus

L. Edwards; H. Lane; F. Wallington; A. M. Arevalo-Lopez; M. Songvilay et al. 

Physical Review B. 2020-11-20. Vol. 102, num. 19, p. 195136. DOI : 10.1103/PhysRevB.102.195136.

Radial Spin Texture of the Weyl Fermions in Chiral Tellurium

G. Gatti; D. Gosalbez-Martinez; S. S. Tsirkin; M. Fanciulli; M. Puppin et al. 

Physical Review Letters. 2020-11-19. Vol. 125, num. 21, p. 216402. DOI : 10.1103/PhysRevLett.125.216402.

Unraveling intrinsic correlation effects with angle-resolved photoemission spectroscopy

J. S. Zhou; L. Reining; A. Nicolaou; A. Bendounan; K. Ruotsalainen et al. 

Proceedings Of The National Academy Of Sciences Of The United States Of America. 2020-11-17. Vol. 117, num. 46, p. 28596-28602. DOI : 10.1073/pnas.2012625117.

Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows

M. Uhrin; S. P. Huber; J. Yu; N. Marzari; G. Pizzi 

Computational Materials Science. 2020-11-16. Vol. 187, p. 110086. DOI : 10.1016/j.commatsci.2020.110086.

Interplay of intrinsic and extrinsic states in pinning and passivation of m-plane facets of GaN n-p-n junctions

L. Freter; Y. Wang; M. Schnedler; J. -F. Carlin; R. Butte et al. 

Journal Of Applied Physics. 2020-11-14. Vol. 128, num. 18, p. 185701. DOI : 10.1063/5.0020652.

Nanoscale-femtosecond dielectric response of Mott insulators captured by two-color near-field ultrafast electron microscopy

X. Fu; F. Barantani; S. Gargiulo; I. Madan; G. Berruto et al. 

Nature Communications. 2020-11-13. Vol. 11, num. 1, p. 5770. DOI : 10.1038/s41467-020-19636-6.

Molecular Mechanism for the Interactions of Hofmeister Cations with Macromolecules in Aqueous Solution

E. E. Bruce; H. Okur; S. Stegmaier; C. Drexler; B. A. Rogers et al. 

Journal Of The American Chemical Society. 2020-11-11. Vol. 142, num. 45, p. 19094-19100. DOI : 10.1021/jacs.0c07214.

On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy

T. Begušić; J. Vaníček 

The Journal of Chemical Physics. 2020-11-11. Vol. 153, num. 18, p. 184110. DOI : 10.1063/5.0031216.

Nature of native atomic defects in ZrTe5 and their impact on the low-energy electronic structure

B. Salzmann; A. Pulkkinen; B. Hildebrand; T. Jaouen; S. N. Zhang et al. 

Physical Review Materials. 2020-11-10. Vol. 4, num. 11, p. 114201. DOI : 10.1103/PhysRevMaterials.4.114201.

A compact and cost-effective hard X-ray free-electron laser driven by a high-brightness and low-energy electron beam

E. Prat; R. Abela; M. Aiba; A. Alarcon; J. Alex et al. 

Nature Photonics. 2020-11-09. DOI : 10.1038/s41566-020-00712-8.

Near-field phase profile and far-field contrast modulation for micro-lens arrays at the refraction limit

M. Yousefi; D. Necesal; T. Scharf; M. Rossi 

Sn Applied Sciences. 2020-11-08. Vol. 2, num. 12, p. 1961. DOI : 10.1007/s42452-020-03759-y.

Role of OH Intermediates during the Au Oxide Electro-Reduction at Low pH Elucidated by Electrochemical Surface-Enhanced Raman Spectroscopy and Implicit Solvent Density Functional Theory

J. H. K. Pfisterer; F. Nattino; U. E. Zhumaev; M. Breiner; J. M. Feliu et al. 

Acs Catalysis. 2020-11-06. Vol. 10, num. 21, p. 12716-12726. DOI : 10.1021/acscatal.0c02752.

Slow Charge Carrier Relaxation in Gold Nanoparticles

L. Wang; T. Rossi; M. Oppermann; B. Bauer; L. Mewes et al. 

Journal Of Physical Chemistry C. 2020-11-05. Vol. 124, num. 44, p. 24322-24330. DOI : 10.1021/acs.jpcc.0c07755.

Lower Hybrid Current Drive in High Aspect Ratio Tokamaks

Y. Peysson; D. Mazon; Artaud; A. Ekedahl; L. Delpech et al. 

Journal Of Fusion Energy. 2020-11-04. DOI : 10.1007/s10894-020-00266-1.

Multiphase magnetism in Yb2Ti2O7

A. Scheie; J. Kindervater; S. Zhang; H. J. Changlani; G. Sala et al. 

Proceedings Of The National Academy Of Sciences Of The United States Of America. 2020-11-03. Vol. 117, num. 44, p. 27245-27254. DOI : 10.1073/pnas.2008791117.

Launching Structural Dynamics

M. Chergui 

Structural Dynamics-Us. 2020-11-01. Vol. 7, num. 6, p. 060401. DOI : 10.1063/4.0000063.

Fabrication of Sub-Micron Polymer Waveguides through Two-Photon Polymerization in Polydimethylsiloxane

G. Panusa; Y. Pu; J. Wang; C. Moser; D. Psaltis 

Polymers. 2020-11-01. Vol. 12, num. 11, p. 2485. DOI : 10.3390/polym12112485.

Heat source and voiding signatures of Mullins damage in filled EPDM

N. Candau; O. Oguz; E. Peuvrel-Disdier; J-L. Bouvard; M. Lluisa Maspoch et al. 

Polymer Testing. 2020-11-01. Vol. 91, p. 106838. DOI : 10.1016/j.polymertesting.2020.106838.

Effects of 5 MeV electron irradiation on deep traps and electroluminescence from near-UV InGaN/GaN single quantum well light-emitting diodes with and without InAlN superlattice underlayer

A. Y. Polyakov; C. Haller; R. Butte; N. B. Smirnov; L. A. Alexanyan et al. 

Journal Of Physics D-Applied Physics. 2020-10-28. Vol. 53, num. 44, p. 445111. DOI : 10.1088/1361-6463/aba6b7.

Li4-xGe1-xPxO4, a Potential Solid-State Electrolyte for All-Oxide Microbatteries

E. Gilardi; G. Materzanini; L. Kahle; M. Dobeli; S. Lacey et al. 

Acs Applied Energy Materials. 2020-10-26. Vol. 3, num. 10, p. 9910-9917. DOI : 10.1021/acsaem.0c01601.

Phase sensitivity in differential phase contrast microscopy: limits and strategies to improve it

C. Bonati; T. Laforest; M. Kunzi; C. Moser 

Optics Express. 2020-10-26. Vol. 28, num. 22, p. 33767-33783. DOI : 10.1364/OE.409890.

Optical-Microwave Pump-Probe Studies of Electronic Properties in Novel Materials

S. Kollarics; A. Bojtor; K. Koltai; B. G. Markus; K. Holczer et al. 

Physica Status Solidi B-Basic Solid State Physics. 2020-10-26.  p. 2000298. DOI : 10.1002/pssb.202000298.

Vibrational Sum Frequency Scattering in Absorptive Media: A Theoretical Case Study of Nano-objects in Water

S. Kulik; S. Pullanchery; S. Roke 

Journal Of Physical Chemistry C. 2020-10-22. Vol. 124, num. 42, p. 23078-23085. DOI : 10.1021/acs.jpcc.0c05196.

Multidisciplinary Preclinical Investigations on Three Oxamniquine Analogues as New Drug Candidates for Schistosomiasis

V. Buchter; Y. C. Ong; F. Mouvet; A. Ladaycia; E. Lepeltier et al. 

Chemistry-A European Journal. 2020-10-22. DOI : 10.1002/chem.202002856.

Polariton relaxation and polariton nonlinearities in nonresonantly cw-pumped III-nitride slab waveguides

J. Ciers; D. D. Solnyshkov; G. Callsen; Y. Kuang; Carlin et al. 

Physical Review B. 2020-10-19. Vol. 102, num. 15, p. 155304. DOI : 10.1103/PhysRevB.102.155304.

Scalar analytical expressions for the field dependence of Zernike polynomials in asymmetric optical systems with circular symmetric surfaces

A. Grosso; T. Scharf 

Osa Continuum. 2020-10-15. Vol. 3, num. 10, p. 2749-2765. DOI : 10.1364/OSAC.396288.

Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States

M. P. Bircher; J. Villard; U. Rothlisberger 

Journal Of Chemical Theory And Computation. 2020-10-13. Vol. 16, num. 10, p. 6550-6559. DOI : 10.1021/acs.jctc.0c00724.

Redox Properties of Native and Damaged DNA from Mixed Quantum Mechanical/Molecular Mechanics Molecular Dynamics Simulations

P. Diamantis; I. Tavernelli; U. Rothlisberger 

Journal Of Chemical Theory And Computation. 2020-10-13. Vol. 16, num. 10, p. 6690-6701. DOI : 10.1021/acs.jctc.0c00568.

Vapor-assisted deposition of highly efficient, stable black-phase FAPbI(3) perovskite solar cells

H. Lu; Y. Liu; P. Ahlawat; A. Mishra; W. R. Tress et al. 

Science. 2020-10-02. Vol. 370, num. 6512, p. eabb8985. DOI : 10.1126/science.abb8985.

Combined synchrotron x-ray diffraction and NV diamond magnetic microscopy measurements at high pressure

L. Toraille; A. Hilberer; T. Plisson; M. Lesik; M. Chipaux et al. 

New Journal Of Physics. 2020-10-01. Vol. 22, num. 10, p. 103063. DOI : 10.1088/1367-2630/abc28f.

Rectified phase-matching equation for fiber mode converter gratings using two-mode interference

S. Basu 

Optics Letters. 2020-10-01. Vol. 45, num. 19, p. 5518-5521. DOI : 10.1364/OL.402444.

Computer generated optical volume elements by additive manufacturing

N. U. Dinc; J. Lim; E. Kakkava; C. Moser; D. Psaltis 

Nanophotonics. 2020-10-01. Vol. 9, num. 13, p. 4173-4181. DOI : 10.1515/nanoph-2020-0196.

Tuning Conductivity and Spin Dynamics in Few-Layer Graphene via In Situ Potassium Exposure

B. G. Markus; O. Sagi; S. Kollarics; K. F. Edelthalhammer; A. Hirsch et al. 

Physica Status Solidi B-Basic Solid State Physics. 2020-09-30.  p. 2000368. DOI : 10.1002/pssb.202000368.

Why choosing the right partner is important: stabilization of ternary Cs(y)GUA(x)FA((1-y-x))PbI(3)perovskites

A. Boziki; M. Mladenovic; M. Gratzel; U. Rothlisberger 

Physical Chemistry Chemical Physics. 2020-09-28. Vol. 22, num. 36, p. 20880-20890. DOI : 10.1039/d0cp03882b.

ABH damping of monolithic silica glass cantilever by structural and material modification using fs laser micromachining

K. Tomita; T. Kishi; T. Yano; P. Vlugter; Y. Bellouard 

International Journal of Applied Glass Science. 2020-09-27. Vol. 12, num. 1, p. 36-45. DOI : 10.1111/ijag.15857.

Direct Observation of the Statics and Dynamics of Emergent Magnetic Monopoles in a Chiral Magnet

N. Kanazawa; A. Kitaori; J. S. White; V. Ukleev; H. M. Ronnow et al. 

Physical Review Letters. 2020-09-25. Vol. 125, num. 13, p. 137202. DOI : 10.1103/PhysRevLett.125.137202.

Metal Soap Membranes for Gas Separation

Q. Liu; D. J. Babu; J. Hao; M. T. Vahdat; D. Campi et al. 

Advanced Functional Materials. 2020-09-24.  p. 2005629. DOI : 10.1002/adfm.202005629.

Incidence of Quantum Confinement on Dark Triplet Excitons in Carbon Nanotubes

J. Palotas; M. Negyedi; S. Kollarics; A. Bojtor; P. Rohringer et al. 

Acs Nano. 2020-09-22. Vol. 14, num. 9, p. 11254-11261. DOI : 10.1021/acsnano.0c03139.

Augmented mitochondrial energy metabolism is an early response to chronic glucose stress in human pancreatic beta cells

I. Chareyron; S. Christen; S. Moco; A. Valsesia; S. Lassueur et al. 

Diabetologia. 2020-09-22. DOI : 10.1007/s00125-020-05275-5.

Ferrimagnetic 120 degrees magnetic structure in Cu2OSO4

V. Y. Favre; G. S. Tucker; C. Ritter; R. Sibille; P. Manuel et al. 

Physical Review B. 2020-09-18. Vol. 102, num. 9, p. 094422. DOI : 10.1103/PhysRevB.102.094422.

Mapping Electrochemical Heterogeneity at Gold Surfaces: A Second Harmonic Imaging Study

I. Nahalka; G. Zwaschka; R. K. Campen; A. Marchioro; S. Roke 

Journal Of Physical Chemistry C. 2020-09-17. Vol. 124, num. 37, p. 20021-20034. DOI : 10.1021/acs.jpcc.0c02740.

Multipole interplay controls optical forces and ultra-directional scattering

A. Kiselev; K. Achouri; O. J. F. Martin 

Optics Express. 2020-09-14. Vol. 28, num. 19, p. 27547-27560. DOI : 10.1364/OE.400387.

Molecular Platform for Frequency Upconversion at the Single-Photon Level

P. Roelli; D. Martin-Cano; T. J. Kippenberg; C. Galland 

Physical Review X. 2020-09-14. Vol. 10, num. 3, p. 031057. DOI : 10.1103/PhysRevX.10.031057.

Magnetic dynamics across the in-field transition in Ca3Co2O6

N. G. Hegde; I. Levatic; A. Magrez; H. M. Ronnow; I. Zivkovic 

Physical Review B. 2020-09-14. Vol. 102, num. 10, p. 104418. DOI : 10.1103/PhysRevB.102.104418.

Unravelling the structural complexity and photophysical properties of adamantyl-based layered hybrid perovskites

F. Jahanbakhshi; M. Mladenovic; E. Kneschaurek; L. Merten; M. C. Gelvez-Rueda et al. 

Journal Of Materials Chemistry A. 2020-09-14. Vol. 8, num. 34, p. 17732-17740. DOI : 10.1039/d0ta05022a.

Efficient Kr/Xe separation from triangular g-C(3)N(4)nanopores, a simulation study

M. T. Vahdat; D. Campi; N. Colonna; L. F. Villalobos; N. Marzari et al. 

Journal of Materials Chemistry A. 2020-09-14. Vol. 8, num. 34, p. 17747-17755. DOI : 10.1039/d0ta03071f.

Reviews

2020

Phonon-Ion Interactions: Designing Ion Mobility Based on Lattice Dynamics

S. Muy; R. Schlem; Y. Shao-Horn; W. G. Zeier 

Advanced Energy Materials. 2020-12-31.  p. 2002787. DOI : 10.1002/aenm.202002787.

Spatio-temporal shaping of a free-electron wave function via coherent light-electron interaction

G. M. Vanacore; I. Madan; F. Carbone 

Rivista Del Nuovo Cimento. 2020-12-24. DOI : 10.1007/s40766-020-00012-5.

Ultrafast Intersystem Crossing and Structural Dynamics of [Pt(ppy)(mu-(t)Bu(2)pz)](2)

L. Mewes; R. A. Ingle; S. Megow; H. Boehnke; E. Baranoff et al. 

Inorganic Chemistry. 2020-10-19. Vol. 59, num. 20, p. 14643-14653. DOI : 10.1021/acs.inorgchem.0c00902.