| 1. |
- Abt, I, et al.
(author)
-
Inclusive V-0 production cross sections from 920 GeV fixed target proton-nucleus collisions
- 2003
-
In: European Physical Journal C. Particles and Fields. - : Springer Science and Business Media LLC. - 1434-6044. ; 29:2, s. 181-190
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Journal article (peer-reviewed)abstract
- Inclusive differential cross sections dsigma(pA)/dx(F) and dsigma(pA)/dp(t)(2) for the production of K-S(0), Lambda, and (&ULambda;) over bar particles are measured at HERA in proton-induced reactions on C, Al, Ti, and W targets. The incident beam energy is 920 GeV, corresponding to roots = 41.6 GeV in the proton-nucleon system. The ratios of differential cross sections dsigma(pA)(K-S(0))/dsigma(pA)(Lambda) and dsigma(pA)((&ULambda;) over bar)/dsigma(pA) (Lambda) are measured to be 6.2 +/- 0.5 and 0.66 +/- 0.07, respectively, for x(F) approximate to -0.06. No significant dependence upon the target material is observed. Within errors, the slopes of the transverse momentum distributions da,Ald t also show no significant dependence upon the target material. The dependence of the extrapolated total cross sections sigma(pA) on the atomic mass A of the target material is discussed, and the deduced cross sections per nucleon sigma(pN) are compared with results obtained at other energies.
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| 2. |
- Abt, I, et al.
(author)
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Measurement of the b(b)over-bar production cross section in 920 GeV fixed-target proton-nucleus collisions
- 2003
-
In: European Physical Journal C. Particles and Fields. - : Springer Science and Business Media LLC. - 1434-6044. ; 26:3, s. 345-355
-
Journal article (peer-reviewed)abstract
- Using the HERA-B detector, the b (b) over bar production cross section has been measured in 920 GeV proton collisions on carbon and titanium targets. The b (b) over bar production was tagged via inclusive bottom quark decays into J/psi by exploiting the longitudinal separation of J/psi --> l(+)l(-) decay vertices from the primary proton-nucleus interaction. Both e(+)e(-) and mu(+)mu(-) channels have been reconstructed and the combined analysis yields the cross section sigma(b (b) over bar) = 32(-12)(+14)(stat) (+6)(-7)(sys) nb/nucleon.
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| 3. |
- Chapman, I. T., et al.
(author)
-
Overview of MAST results
- 2015
-
In: Nuclear Fusion. - : IOP Publishing. - 0029-5515 .- 1741-4326. ; 55:10
-
Journal article (peer-reviewed)abstract
- The Mega Ampere Spherical Tokamak (MAST) programme is strongly focused on addressing key physics issues in preparation for operation of ITER as well as providing solutions for DEMO design choices. In this regard, MAST has provided key results in understanding and optimizing H-mode confinement, operating with smaller edge localized modes (ELMs), predicting and handling plasma exhaust and tailoring auxiliary current drive. In all cases, the high-resolution diagnostic capability on MAST is complemented by sophisticated numerical modelling to facilitate a deeper understanding. Mitigation of ELMs with resonant magnetic perturbations (RMPs) with toroidal mode number n(RMP) = 2, 3, 4, 6 has been demonstrated: at high and low collisionality; for the first ELM following the transition to high confinement operation; during the current ramp-up; and with rotating n(RMP) = 3 RMPs. n(RMP) = 4, 6 fields cause less rotation braking whilst the power to access H-mode is less with n(RMP) = 4 than n(RMP) = 3, 6. Refuelling with gas or pellets gives plasmas with mitigated ELMs and reduced peak heat flux at the same time as achieving good confinement. A synergy exists between pellet fuelling and RMPs, since mitigated ELMs remove fewer particles. Inter-ELM instabilities observed with Doppler backscattering are consistent with gyrokinetic simulations of micro-tearing modes in the pedestal. Meanwhile, ELM precursors have been strikingly observed with beam emission spectroscopy (BES) measurements. A scan in beta at the L-H transition shows that pedestal height scales strongly with core pressure. Gyro-Bohm normalized turbulent ion heat flux (as estimated from the BES data) is observed to decrease with increasing tilt of the turbulent eddies. Fast ion redistribution by energetic particle modes depends on density, and access to a quiescent domain with 'classical' fast ion transport is found above a critical density. Highly efficient electron Bernstein wave current drive (1 A W-1) has been achieved in solenoid-free start-up. A new proton detector has characterized escaping fusion products. Langmuir probes and a high-speed camera suggest filaments play a role in particle transport in the private flux region whilst coherence imaging has measured scrape-off layer (SOL) flows. BOUT++ simulations show that fluxes due to filaments are strongly dependent on resistivity and magnetic geometry of the SOL, with higher radial fluxes at higher resistivity. Finally, MAST Upgrade is due to begin operation in 2016 to support ITER preparation and importantly to operate with a Super-X divertor to test extended leg concepts for particle and power exhaust.
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| 4. |
- Kirk, A., et al.
(author)
-
Overview of recent physics results from MAST
- 2017
-
In: Nuclear Fusion. - : IOP Publishing. - 0029-5515 .- 1741-4326. ; 57:10
-
Journal article (peer-reviewed)abstract
- New results from MAST are presented that focus on validating models in order to extrapolate to future devices. Measurements during start-up experiments have shown how the bulk ion temperature rise scales with the square of the reconnecting field. During the current ramp-up, models are not able to correctly predict the current diffusion. Experiments have been performed looking at edge and core turbulence. At the edge, detailed studies have revealed how filament characteristics are responsible for determining the near and far scrape off layer density profiles. In the core the intrinsic rotation and electron scale turbulence have been measured. The role that the fast ion gradient has on redistributing fast ions through fishbone modes has led to a redesign of the neutral beam injector on MAST Upgrade. In H-mode the turbulence at the pedestal top has been shown to be consistent with being due to electron temperature gradient modes. A reconnection process appears to occur during edge localized modes (ELMs) and the number of filaments released determines the power profile at the divertor. Resonant magnetic perturbations can mitigate ELMs provided the edge peeling response is maximised and the core kink response minimised. The mitigation of intrinsic error fields with toroidal mode number n > 1 has been shown to be important for plasma performance.
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| 5. |
- Meyer, H., et al.
(author)
-
Overview of physics results from MAST towards ITER/DEMO and the MAST Upgrade
- 2013
-
In: Nuclear Fusion. - : IOP Publishing. - 0029-5515 .- 1741-4326. ; 53:10, s. 104008-
-
Journal article (peer-reviewed)abstract
- New diagnostic, modelling and plant capability on the Mega Ampere Spherical Tokamak (MAST) have delivered important results in key areas for ITER/DEMO and the upcoming MAST Upgrade, a step towards future ST devices on the path to fusion currently under procurement. Micro-stability analysis of the pedestal highlights the potential roles of micro-tearing modes and kinetic ballooning modes for the pedestal formation. Mitigation of edge localized modes (ELM) using resonant magnetic perturbation has been demonstrated for toroidal mode numbers n = 3, 4, 6 with an ELM frequency increase by up to a factor of 9, compatible with pellet fuelling. The peak heat flux of mitigated and natural ELMs follows the same linear trend with ELM energy loss and the first ELM-resolved T-i measurements in the divertor region are shown. Measurements of flow shear and turbulence dynamics during L-H transitions show filaments erupting from the plasma edge whilst the full flow shear is still present. Off-axis neutral beam injection helps to strongly reduce the redistribution of fast-ions due to fishbone modes when compared to on-axis injection. Low-k ion-scale turbulence has been measured in L-mode and compared to global gyro-kinetic simulations. A statistical analysis of principal turbulence time scales shows them to be of comparable magnitude and reasonably correlated with turbulence decorrelation time. T-e inside the island of a neoclassical tearing mode allow the analysis of the island evolution without assuming specific models for the heat flux. Other results include the discrepancy of the current profile evolution during the current ramp-up with solutions of the poloidal field diffusion equation, studies of the anomalous Doppler resonance compressional Alfven eigenmodes, disruption mitigation studies and modelling of the new divertor design for MAST Upgrade. The novel 3D electron Bernstein synthetic imaging shows promising first data sensitive to the edge current profile and flows.
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| 6. |
- Narasimhamurthy, S., et al.
(author)
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The SAGE project : A storage centric approach for exascale computing
- 2018
-
In: 2018 ACM International Conference on Computing Frontiers, CF 2018 - Proceedings. - New York, NY, USA : Association for Computing Machinery (ACM). - 9781450357616 ; , s. 287-292
-
Conference paper (peer-reviewed)abstract
- SAGE (Percipient StorAGe for Exascale Data Centric Computing) is a European Commission funded project towards the era of Exascale computing. Its goal is to design and implement a Big Data/Extreme Computing (BDEC) capable infrastructure with associated software stack. The SAGE system follows a storage centric approach as it is capable of storing and processing large data volumes at the Exascale regime. SAGE addresses the convergence of Big Data Analysis and HPC in an era of next-generation data centric computing. This convergence is driven by the proliferation of massive data sources, such as large, dispersed scientific instruments and sensors where data needs to be processed, analyzed and integrated into simulations to derive scientific and innovative insights. A first prototype of the SAGE system has been been implemented and installed at the Jülich Supercomputing Center. The SAGE storage system consists of multiple types of storage device technologies in a multi-tier I/O hierarchy, including flash, disk, and non-volatile memory technologies. The main SAGE software component is the Seagate Mero Object Storage that is accessible via the Clovis API and higher level interfaces. The SAGE project also includes scientific applications for the validation of the SAGE concepts. The objective of this paper is to present the SAGE project concepts, the prototype of the SAGE platform and discuss the software architecture of the SAGE system.
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| 7. |
- Olszewski, Adam J., et al.
(author)
-
Burkitt Lymphoma International Prognostic Index
- 2021
-
In: Journal of clinical oncology : official journal of the American Society of Clinical Oncology. - 0732-183X. ; 39:10, s. 1129-1138
-
Journal article (peer-reviewed)abstract
- PURPOSE: Burkitt lymphoma (BL) has unique biology and clinical course but lacks a standardized prognostic model. We developed and validated a novel prognostic index specific for BL to aid risk stratification, interpretation of clinical trials, and targeted development of novel treatment approaches. METHODS: We derived the BL International Prognostic Index (BL-IPI) from a real-world data set of adult patients with BL treated with immunochemotherapy in the United States between 2009 and 2018, identifying candidate variables that showed the strongest prognostic association with progression-free survival (PFS). The index was validated in an external data set of patients treated in Europe, Canada, and Australia between 2004 and 2019. RESULTS: In the derivation cohort of 633 patients with BL, age ≥ 40 years, performance status ≥ 2, serum lactate dehydrogenase > 3× upper limit of normal, and CNS involvement were selected as equally weighted factors with an independent prognostic value. The resulting BL-IPI identified groups with low (zero risk factors, 18% of patients), intermediate (one factor, 36% of patients), and high risk (≥ 2 factors, 46% of patients) with 3-year PFS estimates of 92%, 72%, and 53%, respectively, and 3-year overall survival estimates of 96%, 76%, and 59%, respectively. The index discriminated outcomes regardless of HIV status, stage, or first-line chemotherapy regimen. Patient characteristics, relative size of the BL-IPI groupings, and outcome discrimination were consistent in the validation cohort of 457 patients, with 3-year PFS estimates of 96%, 82%, and 63% for low-, intermediate-, and high-risk BL-IPI, respectively. CONCLUSION: The BL-IPI provides robust discrimination of survival in adult BL, suitable for use as prognostication and stratification in trials. The high-risk group has suboptimal outcomes with standard therapy and should be considered for innovative treatment approaches.
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| 8. |
- Drexler, C., et al.
(author)
-
Reststrahlen Band assisted photocurrents in graphene
- 2013
-
In: International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz. - 2162-2027 .- 2162-2035. - 9781467347174
-
Conference paper (peer-reviewed)abstract
- We report on the experimental and theoretical study of the Reststrahlen Band assisted photocurrents in epitaxial grown graphene on SiC. We show that excitation of graphene with infrared radiation results in a dc current. We demonstrate that photocurrent in response to linearly polarized radiation exhibit a resonance enhancement in the frequency range of the Reststrahlen Band of the SiC substrate. By contrast the photocurrent excited by circularly polarized radiation is suppressed in the same spectral range. The developed theory is in agreement with the data and reveals a strong influence of the Reststrahl Band on the high frequency transport in graphene.
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| 9. |
- Gobel, K., et al.
(author)
-
Coulomb dissociation of 16O into 4He and 12C
- 2020
-
In: Journal of Physics: Conference Series. - : IOP Publishing. - 1742-6588 .- 1742-6596. ; 1668:1
-
Conference paper (peer-reviewed)abstract
- We measured the Coulomb dissociation of 16O into 4He and 12C at the R3B setup in a first campaign within FAIR Phase 0 at GSI Helmholtzzentrum für Schwerionenforschung, Darmstadt. The goal was to improve the accuracy of the experimental data for the 12C(a,?)16O fusion reaction and to reach lower center-ofmass energies than measured so far. The experiment required beam intensities of 109 16O ions per second at an energy of 500 MeV/nucleon. The rare case of Coulomb breakup into 12C and 4He posed another challenge: The magnetic rigidities of the particles are so close because of the same mass-To-charge-number ratio A/Z = 2 for 16O, 12C and 4He. Hence, radical changes of the R3B setup were necessary. All detectors had slits to allow the passage of the unreacted 16O ions, while 4He and 12C would hit the detectors' active areas depending on the scattering angle and their relative energies. We developed and built detectors based on organic scintillators to track and identify the reaction products with sufficient precision.
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| 10. |
- Indykiewicz, Kornelia, 1986, et al.
(author)
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Current-induced enhancement of photo-response in graphene THz radiation detectors
- 2022
-
In: AIP Advances. - : AIP Publishing. - 2158-3226 .- 2158-3226. ; 12:11
-
Journal article (peer-reviewed)abstract
- Thermoelectric readout in a graphene terahertz (THz) radiation detector requires a p-n junction across the graphene channel. Even without an intentional p-n junction, two latent junctions can exist in the vicinity of the electrodes/antennas through the proximity to the metal. In a symmetrical structure, these junctions are connected back-to-back and therefore counterbalance each other with regard to rectification of the ac signal. Because of the Peltier effect, a small dc current results in additional heating in one and cooling in another p-n junction, thereby breaking the symmetry. The p-n junctions then no longer cancel, resulting in a greatly enhanced rectified signal. This allows simplifying the design and controlling the sensitivity of THz radiation detectors.
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| 11. |
- Jiang, C. Y., et al.
(author)
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Helicity-dependent photocurrents in graphene layers excited by midinfrared radiation of a CO2 laser
- 2011
-
In: Physical Review B - Condensed Matter and Materials Physics. - : American Physical Society. - 2469-9950 .- 2469-9969 .- 1098-0121 .- 1550-235X. ; 84:12
-
Journal article (peer-reviewed)abstract
- We report the study of the helicity-driven photocurrents in graphene excited by midinfrared light of a CO(2) laser. Illuminating an unbiased monolayer sheet of graphene with circularly polarized radiation generates-under oblique incidence-an electric current perpendicular to the plane of incidence, whose sign is reversed by switching the radiation helicity. We show that the current is caused by the interplay of the circular ac Hall effect and the circular photogalvanic effect. By studying the frequency dependence of the current in graphene layers grown on the SiC substrate, we observe that the current exhibits a resonance at frequencies matching the longitudinal optical phonon in SiC.
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| 12. |
- Kern, S., et al.
(author)
-
Reflection-enhanced gain in traveling-wave parametric amplifiers
- 2023
-
In: Physical Review B. - 2469-9969 .- 2469-9950. ; 107:17
-
Journal article (peer-reviewed)abstract
- The operating principle of traveling-wave parametric amplifiers is typically understood in terms of the standard coupled mode theory, which describes the evolution of forward propagating waves without any reflections, i.e., for perfect impedance matching. However, in practice, superconducting microwave amplifiers are unmatched nonlinear finite-length devices, where the reflecting waves undergo complex parametric processes, not described by the standard coupled mode theory. Here, we present an analytical solution for the TWPA gain, which includes the interaction of reflected waves. These reflections result in corrections to the well-known results of the standard coupled mode theory, which are obtained for both three-wave and four-wave mixing processes. Due to these reflections, the gain is enhanced and unwanted nonlinear phase modulations are suppressed. Predictions of the model are experimentally demonstrated on two types of unmatched TWPA, based on coplanar waveguides with a central wire consisting of (i) a high kinetic inductance superconductor, and (ii) an array of 2000 Josephson junctions.
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| 13. |
- Olbrich, P., et al.
(author)
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Reststrahl band-assisted photocurrents in epitaxial graphene layers
- 2013
-
In: Physical Review B - Condensed Matter and Materials Physics. - : American Physical Society. - 2469-9950 .- 2469-9969 .- 1098-0121 .- 1550-235X. ; 88:24, s. 7-
-
Journal article (peer-reviewed)abstract
- We report on the observation of the reststrahl band-assisted photocurrents in epitaxial graphene on SiC excited by infrared radiation. The peculiar spectral dependence for frequencies lying within the reststrahl band of the SiC substrate provides a direct and noninvasive way to probe the electric field magnitude at atomic distances from the material's surface. Furthermore our results reveal that nonlinear optical and optoelectronic phenomena in two-dimensional crystals and other atomic scale structures can be giantly enhanced by their deposition on a substrate with negative dielectric constant.
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| 14. |
- Bott, Lukas Thomas, et al.
(author)
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Coulomb dissociation of O-16 into He-4 and C-12
- 2023
-
In: NUCLEAR PHYSICS IN ASTROPHYSICS - X, NPA-X 2022. - : EDP Sciences. - 2100-014X. ; 279
-
Conference paper (peer-reviewed)abstract
- We measured the Coulomb dissociation of O-16 into He-4 and C-12 within the FAIR Phase-0 program at GSI Helmholtzzentrum fur Schwerionenforschung Darmstadt, Germany. From this we will extract the photon dissociation cross section O-16(alpha,gamma)C-12, which is the time reversed reaction to C-12(alpha,gamma)O-16. With this indirect method, we aim to improve on the accuracy of the experimental data at lower energies than measured so far. The expected low cross section for the Coulomb dissociation reaction and close magnetic rigidity of beam and fragments demand a high precision measurement. Hence, new detector systems were built and radical changes to the (RB)-B-3 setup were necessary to cope with the high-intensity O-16 beam. All tracking detectors were designed to let the unreacted O-16 ions pass, while detecting the C-12 and He-4.
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| 15. |
- Broman, S. L., et al.
(author)
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Dihydroazulene Photoswitch Operating in Sequential Tunneling Regime: Synthesis and Single-Molecule Junction Studies
- 2012
-
In: Advanced Functional Materials. - : Wiley. - 1616-3028 .- 1616-301X. ; 22:20, s. 4249-4258
-
Journal article (peer-reviewed)abstract
- Molecular switches play a central role for the development of molecular electronics. In this work it is demonstrated that the reproducibility and robustness of a single-molecule dihydroazulene (DHA)/vinylheptafulvene (VHF) switch can be remarkably enhanced if the switching kernel is weakly coupled to electrodes so that the electron transport goes by sequential tunneling. To assure weak coupling, the DHA switching kernel is modified by incorporating p-MeSC6H4 end-groups. Molecules are prepared by Suzuki cross-couplings on suitable halogenated derivatives of DHA. The synthesis presents an expansion of our previously reported brominationeliminationcross-coupling protocol for functionalization of the DHA core. For all new derivatives the kinetics of DHA/VHF transition has been thoroughly studied in solution. The kinetics reveals the effect of sulfur end-groups on the thermal ring-closure of VHF. One derivative, incorporating a p-MeSC6H4 anchoring group in one end, has been placed in a silver nanogap. Conductance measurements justify that transport through both DHA (high resistivity) and VHF (low resistivity) forms goes by sequential tunneling. The switching is fairly reversible and reenterable; after more than 20 ON-OFF switchings, both DHA and VHF forms are still recognizable, albeit noticeably different from the original states.
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| 16. |
- de Graaf, S. E., et al.
(author)
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Two-level systems in superconducting quantum devices due to trapped quasiparticles
- 2020
-
In: Science advances. - : American Association for the Advancement of Science (AAAS). - 2375-2548. ; 6:51
-
Journal article (peer-reviewed)abstract
- A major issue for the implementation of large-scale superconducting quantum circuits is the interaction with interfacial two-level system (TLS) defects that lead to qubit parameter fluctuations and relaxation. Another major challenge comes from nonequilibrium quasiparticles (QPs) that result in qubit relaxation and dephasing. Here, we reveal a previously unexplored decoherence mechanism in the form of a new type of TLS originating from trapped QPs, which can induce qubit relaxation. Using spectral, temporal, thermal, and magnetic field mapping of TLS-induced fluctuations in frequency tunable resonators, we identify a highly coherent subset of the general TLS population with a low reconfiguration temperature similar to 300 mK and a nonuniform density of states. These properties can be understood if the TLS are formed by QPs trapped in shallow subgap states formed by spatial fluctutations of the superconducting order parameter. This implies that even very rare QP bursts will affect coherence over exponentially long time scales.
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| 17. |
- Geaney, S., et al.
(author)
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Near-Field Scanning Microwave Microscopy in the Single Photon Regime
- 2019
-
In: Scientific Reports. - : Springer Science and Business Media LLC. - 2045-2322 .- 2045-2322. ; 9:1
-
Journal article (peer-reviewed)abstract
- The microwave properties of nano-scale structures are important in a wide variety of applications in quantum technology. Here we describe a low-power cryogenic near-field scanning microwave microscope (NSMM) which maintains nano-scale dielectric contrast down to the single microwave photon regime, up to 109 times lower power than in typical NSMMs. We discuss the remaining challenges towards developing nano-scale NSMM for quantum coherent interaction with two-level systems as an enabling tool for the development of quantum technologies in the microwave regime.
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| 18. |
- Geskin, V., et al.
(author)
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Bianthrone at a Metal Surface: Conductance Switching with a Bistable Molecule Made Feasible by Image Charge Effects
- 2015
-
In: AIP Conference Proceedings. - : AIP Publishing LLC. - 1551-7616 .- 0094-243X. ; 1642, s. 469-472
-
Conference paper (peer-reviewed)abstract
- Bianthrone is a sterically hindered compound that exists in the form of two non-planar isomers. Our experimental study of single-molecule junctions with bianthrone reveals persistent switching of electric conductance at low temperatures, which can be reasonably associated to molecular isomerization events. Temperature dependence of the switching rate allows for an estimate of the activation energy of the process, on the order of 35-90 meV. Quantum-chemical calculations of the potential surface of neutral bianthrone and its anion, including identification of transition states, yields the isolated molecule isomerization barriers too high vs. the previous estimate, though in perfect agreement with previous experimental studies in solution. Nevertheless, we show that the attraction of the anion in the vicinity of the metal surface by its image charge can significantly alter the energetic landscape, in particular, by reducing the barrier to the values compatible with the observed switching behavior.
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| 19. |
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| 20. |
- Kubatkin, S E, et al.
(author)
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Defect switching in a mesoscopic sample induced by a scanning tunnelling microscope
- 1994
-
In: Journal of Physics. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 6, s. L473-L478
-
Journal article (peer-reviewed)abstract
- A new method is introduced to study electron transport on the mesoscopic scale. A scanning tunnelling microscope (STM) tip is used both to form a point-contact potential probe to a thin film and to affect scattering centres in its vicinity. We detect abrupt changes in the voltage with this probe as a function of both tip position and tip-sample voltage. These changes could be interpreted as due to spatial shifts of scattering centres in the film surface.
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| 21. |
- Kubatkin, S E, et al.
(author)
-
Movement of scattering centers in a point contact induced by a scanning tunneling microscope
- 1994
-
In: Physica. B, Condensed matter. - : Elsevier BV. - 0921-4526 .- 1873-2135. ; 194-196:Part 1, s. 991-992
-
Journal article (peer-reviewed)abstract
- A new method is introduced to study transport in a mesoscopic sample. The electric field from an STM-tip is used to locally influence a mesoscopic object. We detect abrupt changes in the mesoscopic signal both as a function of the tip position and tip-sample voltage. They could be interpreted as due to spatial shifts or changes in the activity of scattering centers in the sample.
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| 22. |
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| 23. |
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| 24. |
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| 25. |
- Lara Avila, Samuel, 1983, et al.
(author)
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Bianthrone in a Single-Molecule Junction: Conductance Switching with a Bistable Molecule Facilitated by Image Charge Effects
- 2010
-
In: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 114:48, s. 20686-20695
-
Journal article (peer-reviewed)abstract
- Bianthrone is a sterically hindered compound that exists in the form of two nonplanar isomers. Our experimental study of single-molecule junctions with bianthrone reveals persistent switching of electric conductance at low temperatures, which can be reasonably associated with molecular isomerization events. Temperature dependence of the switching rate allows for an estimate of the activation energy of the process, on the order of 120 +/- 50 meV. Quantum-chemical calculations of the potential energy relief of neutral bianthrone and its anion, including identification of transition states, yields the isolated molecule isomerization barriers too high vs the previous estimate, though compatible with previous experimental studies in solution. Nevertheless, we show that the attraction of the anion in the vicinity of the metal surface by its image charge can change the energetic landscape, in particular, by significantly reducing the barrier to values compatible with the observed switching behavior.
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