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Quantum fluctuations and isotope effects in ab initio descriptions of water

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Reversible photo-electrochemical device for solar hydrogen and power generation

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A reversible photo-electrochemical device operating under concentrated irradiation could offer a stand-alone solution for producing solar fuel (in photo-driven electrolysis mode) and power (in fuel cell mode). This strategy would present the advantage of h ...

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Organic matters, but inorganic matters too: column examination of elevated mercury sorption on low organic matter aquifer material using concentrations and stable isotope ratios

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Sorption of mercury (Hg) in soils is suggested to be predominantly associated with organic matter (OM). However, there is a growing collection of research that suggests that clay minerals and oxides are also important solid phases for the sorption of solu ...

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The molecular scale mechanism of deposition ice nucleation on silver iodide

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Heterogeneous ice nucleation is a ubiquitous process in the natural and built environment. Deposition ice nucleation, i.e. heterogeneous ice nucleation that - according to the traditional view - occurs in a subsaturated water vapor environment and in the a ...

Royal Soc Chemistry2024

Engineering Frustrated Lewis Pair Active Sites in Porous Organic Scaffolds for Catalytic CO2 Hydrogenation

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Frustrated Lewis pairs (FLPs), featuring reactive combinations of Lewis acids and Lewis bases, have been utilized for myriad metal-free homogeneous catalytic processes. Immobilizing the active Lewis sites to a solid support, especially to porous scaffolds, ...

Amer Chemical Soc2024

Scalable Quantum Algorithms for Noisy Quantum Computers

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Quantum computing not only holds the potential to solve long-standing problems in quantum physics, but also to offer speed-ups across a broad spectrum of other fields. Access to a computational space that incorporates quantum effects, such as superposition ...

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'Fraternal-twin' ferroelectricity: competing polar states in hydrogen-doped samarium nickelate from first principles

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In ferroelectric switching, an applied electric field switches the system between two polar symmetry-equivalent states. In this work, we use first-principles calculations to explore the polar states of hydrogen-doped samarium nickelate (SNO) at a concentra ...

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The isotopic signature of U(V) during bacterial reduction

Marinella Mazzanti, Rizlan Bernier-Latmani, Radmila Faizova, Ashley Richards Brown, Margaux Camille Andréa Molinas

The two-step electron transfer during bacterial reduction of UVI to UIV is typically accompanied by mass-independent fractionation of the 238U and 235U isotopes, whereby the heavy isotope accumulates in the reduced product. However, the role of the UV inte ...

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Quantum Error Correction and Simulation in Open Bosonic Systems

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Quantum computers have the potential to surpass conventional computing, but they are hindered by noise which induces errors that ultimately lead to the loss of quantum information. This necessitates the development of quantum error correction strategies fo ...

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Stability and degradation of (oxy)nitride photocatalysts for solar water splitting

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Advancing towards alternative technologies for the sustainable production of hydrogen is a necessity for the successful integration of this potentially green fuel in the future. Photocatalytic and photoelectrochemical water splitting are promising concepts ...

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The design and discovery of potential novel materials is critical for the advancement of climate change mitigation technologies. In this respect, metal-organic frameworks (MOFs) have received considerable attention over the last two decades. The combinatio ...

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From Surfactants to 3D Printing: How Ion-Chelator Pair Interactions Affect the Mechanical Properties of Bioinspired Materials

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The remarkable adaptability observed in marine ecosystems has often inspired researchers when developing new soft materials. The research undertaken in this thesis explores how ion chelator pair interactions influence the mechanical properties of bioinspir ...

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Diagenetic isotope exchange in biocalcites for paleoclimate reconstruction

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The oxygen isotope compositions of fossil biocalcites, such as foraminifera, bivalves, brachiopods, and belemnites have allowed for reconstructions of sea surface and deep ocean temperatures throughout the Phanerozoic and constitute the most important reco ...

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Technical note: Two-component electrical-conductivity-based hydrograph separation employing an exponential mixing model (EXPECT) provides reliable high-temporal-resolution young water fraction estimates in three small Swiss catchments

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The young water fraction represents the portion of water molecules in a stream that have entered the catchment relatively recently, typically within 2-3 months. It can be reliably estimated in spatially heterogeneous and nonstationary catchments from the a ...

Copernicus Gesellschaft Mbh2024

Oxidative Defect Detection Within Free and Packed DNA Systems: A Quantum Mechanical/Molecular Mechanics (QM/ MM) Approach

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Base excision repair enzymes (BERs) detect and repair oxidative DNA damage with efficacy despite the small size of the defects and their often only minor structural impact. A charge transfer (CT) model for rapid scanning of DNA stretches has been evoked to ...

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Ultra-high quantum coherent and scalable superconducting circuit optomechanics, from topological lattices to quantum storage

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Mechanical oscillators can exhibit modes with ultra-low energy dissipation and compact form factors due to the slow velocity of acoustic waves, and are already used in applications ranging from timing to wireless filters. Over the past decade, novel ways i ...

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Large impact of phonon lineshapes on the superconductivity of solid hydrogen

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Phonon anharmonicity plays a crucial role in determining the stability and vibrational properties of high-pressure hydrides. Furthermore, strong anharmonicity can render phonon quasiparticle picture obsolete questioning standard approaches for modeling sup ...

Nature Portfolio2024