Restorable Neutralization of Poly(acrylic acid) Binders toward Balanced Processing Properties and Cycling Performance for Silicon Anodes in Lithium-Ion Batteries.

Neutralization of poly(acrylic acid) (PAA)-based binders using lithium hydroxide is a common strategy for fabricating silicon anode laminates, which improves rheological properties of slurries toward high-quality electrode laminates. However, the significantly increased basicity causes degradation of Si particles while the irreversible conversion of carboxylic acid groups to lithium carboxylates undermines the binding strength, collectively leading to adverse cycling performance of the fabricated Si anodes. Herein, a novel neutralization process for PAA binders is developed.

Electrically driven optical interferometry with spins in silicon carbide.

Interfacing solid-state defect electron spins to other quantum systems is an ongoing challenge. The ground-state spin's weak coupling to its environment not only bestows excellent coherence properties but also limits desired drive fields. The excited-state orbitals of these electrons, however, can exhibit stronger coupling to phononic and electric fields.

Phonon-mediated quantum state transfer and remote qubit entanglement.

Phonons, and in particular surface acoustic wave phonons, have been proposed as a means to coherently couple distant solid-state quantum systems. Individual phonons in a resonant structure can be controlled and detected by superconducting qubits, enabling the coherent generation and measurement of complex stationary phonon states. We report the deterministic emission and capture of itinerant surface acoustic wave phonons, enabling the quantum entanglement of two superconducting qubits.

Qresp, a tool for curating, discovering and exploring reproducible scientific papers.

We propose a strategy and present a simple tool to facilitate scientific data reproducibility by making available, in a distributed manner, all data and procedures presented in scientific papers, together with metadata to render them searchable and discoverable. In particular, we describe a graphical user interface (GUI), Qresp, to curate papers (i.e.

Graph-Based Approach to Systematic Molecular Coarse-Graining.

A novel methodology is introduced here to generate coarse-grained (CG) representations of molecular models for simulations. The proposed strategy relies on basic graph-theoretic principles and is referred to as graph-based coarse-graining (GBCG). It treats a given system as a molecular graph and derives a corresponding CG representation by using edge contractions to combine nodes in the graph, which correspond to atoms in the molecule, into CG sites.

A Facile Approach to Improve Interchain Packing Order and Charge Mobilities by Self-Assembly of Conjugated Polymers on Water.

Development of facile and economic approaches for assembling organic semiconductors into more ordered structures toward high charge mobilities is highly demanding for the fabrication of organic circuits. Here a simple and facile approach is reported to prepare conjugated polymer thin films with improved crystallinities and charge mobilities by self-assembling semiconducting polymers on water. The formation of polymer thin films with more ordered structures is attributed to coffee ring effect induced by solvent-evaporation on water, and the hydrophobic nature of conjugated polymers that forces the polymer chains to pack densely and orderly on water surface.

Quantum control of surface acoustic-wave phonons.

One of the hallmarks of quantum physics is the generation of non-classical quantum states and superpositions, which has been demonstrated in several quantum systems, including ions, solid-state qubits and photons. However, only indirect demonstrations of non-classical states have been achieved in mechanical systems, despite the scientific appeal and technical utility of such a capability, including in quantum sensing, computation and communication applications. This is due in part to the highly linear response of most mechanical systems, which makes quantum operations difficult, as well as their characteristically low frequencies, which hinder access to the quantum ground state.

Electrometry by optical charge conversion of deep defects in 4H-SiC.

Optically active point defects in various host materials, such as diamond and silicon carbide (SiC), have shown significant promise as local sensors of magnetic fields, electric fields, strain, and temperature. Modern sensing techniques take advantage of the relaxation and coherence times of the spin state within these defects. Here we show that the defect charge state can also be used to sense the environment, in particular high-frequency (megahertz to gigahertz) electric fields, complementing established spin-based techniques.

Microscale-Resolution Thermal Mapping Using a Flexible Platform of Patterned Quantum Sensors.

Temperature sensors with micro- and nanoscale spatial resolution have long been explored for their potential to investigate the details of physical systems at an unprecedented scale. In particular, the rapid miniaturization of transistor technology, with its associated steep boost in power density, calls for sensors that accurately monitor heating distributions. Here, we report on a simple and scalable fabrication approach, based on directed self-assembly and transfer-printing techniques, to constructing arrays of nanodiamonds containing temperature-sensitive fluorescent spin defects.

Enhancement in Open-Circuit Voltage in Organic Solar Cells by Using Ladder-Type Nonfullerene Acceptors.

The open-circuit voltage ( V) loss has always been a major factor in lowering power conversion efficiencies (PCEs) in bulk heterojunction organic photovoltaic cells (OPVs). A method to improve the V is indispensable to achieve high PCEs. In this paper, we investigated a series of perylene diimide-based ladder-type molecules as electron acceptors in nonfullerene OPVs.

GW100: Comparison of Methods and Accuracy of Results Obtained with the WEST Code.

The reproducibility of calculations carried out within many-body perturbation theory at the G W level is assessed for 100 closed shell molecules and compared to that of density functional theory. We consider vertical ionization potentials (VIP) and electron affinities (VEA) obtained with five different codes: BerkeleyGW, FHI-aims, TURBOMOLE, VASP, and WEST. We review the approximations and parameters that control the accuracy of G W results in each code, and we discuss in detail the effect of extrapolation techniques for the parameters entering the WEST code.

Optical charge state control of spin defects in 4H-SiC.

Defects in silicon carbide (SiC) have emerged as a favorable platform for optically active spin-based quantum technologies. Spin qubits exist in specific charge states of these defects, where the ability to control these states can provide enhanced spin-dependent readout and long-term charge stability. We investigate this charge state control for two major spin qubits in 4H-SiC, the divacancy and silicon vacancy, obtaining bidirectional optical charge conversion between the bright and dark states of these defects.