Articles in 2023

Nanobubbles are sources of charge trapping that influence the performance and stability of devices based on 2D materials. Here, Kelvin probe force microscopy is used to study the origin and mechanism of charge trapping in nanobubbles of MoS₂ on a SiO₂ substrate.

Predicting phonon properties is essential for identifying thermally efficient materials. Here, an indirect bottom-up machine learning approach is able to predict comprehensive phonon properties of ~80,000 cubic crystals spanning 63 elements, thereby overcoming the computational burden of first-principles calculations.

Using machine learning to construct interatomic potentials when materials are not in their electronic ground state is challenging. Here, a neural network interatomic potential is constructed for laser-excited silicon, which extends first-principles accuracy to ultra-large length and time scales.

Catch bonds exist in some protein-ligand complexes and are of interest for their increased lifetime under greater mechanical force. Here, a mathematical model for nanoparticles tethered with macromolecules shows catch-bond behavior, which may be useful for designing synthetic materials.

Tools for characterizing materials both spectrally and temporally are important to investigate fundamental properties of materials. Here, 2D temporal-spectral maps are shown to be useful for characterizing and discriminating luminescence signals that occur on widely different timescales.

Antiferromagnetic materials are receiving renewed interest for their potential use in spintronics and information technology. Here, neutron scattering experiments reveal that TbCu₂, a collinear antiferromagnet, can host spiral-like magnetic superstructures both in bulk form and small nanoparticle ensembles.

Lithiation and de-lithiation of lithium-ion microbatteries pose a challenge for adoption due to their extreme volume change and active lithium loss. Here, the surface morphologies of a monocrystalline vertical silicon nanowire-based lithium microbattery were investigated against performance.

Frustrated magnetism may lead to the emergence of intriguing charge-neutral fermionic excitations at low temperatures. Here, nuclear quadrupole resonance and specific-heat measurements on YbCuS₂ reveal a gapless Fermi-liquid excitation in the antiferromagnetic state of the ytterbium zigzag chain.

Borophene has unusual anisotropic characteristics which give it potential use in piezoelectric applications. Here, we synthesized few layered borophene and explored their properties in piezoelectric nanogenerator devices.

It is difficult to control nanoparticle dispersion and size in preceramic polymer composites which require additional processing. Here, a pre-ceramic polymer assists in stable nanoparticle formation and serves as a surface graft for controlled dispersion in a one-pot copper sulfide synthesis.

It is difficult to store noble gases in solids due to their chemical inertness and relative lightness. Here, a hydroquinone organic clathrate can stably capture neon at atmospheric pressure and room temperature and be released at elevated temperatures.

Alpha-voltaic cells are used as an independent long-lifetime energy source, but their power conversion efficiencies are much lower than the theoretical limit. Here, an aluminium-doped gallium nitride alpha-voltaic cell was found to result in a high-power conversion efficiency of 4.51%.

Structural battery composites contain a porous solid phase that holds the structural integrity of the system with a liquid phase in the pores. Here, the porous structure is studied using combined focused ion beam and scanning electron microscopy and transferred into finite element models.

Modifying quantum well states is an effective approach for tuning the density of states at the Fermi level. Here, light is used to control the quantum well potential in Bi₂Se₃, driving a quantum well singularity below the Fermi level at ultrafast timescales and triggering a Lifshitz transition.

Transition metal dichalcogenides are hosts to interesting electronic order states intertwined with non-trivial band topology. Here, systematic photoemission experiments on 1T-VSe₂ reveal a Dirac nodal arc emerging from band inversion and supporting spin-momentum locked topological surface states.

Tuning the band gap of perovskite oxides is key for achieving tailored electronic properties in transistors, LEDs, photovoltaics, and scintillators. Here, by exploring all chemical combinations of 68 elements, machine learning is used to identify and predict stable synthesizable cubic perovskites with desired band gap values.

Prediction of new high entropy materials presents a significant challenge. Here, the authors combine experimental and computational methods to search for new high entropy oxides in the tetravalent AO₂ family and show why (Ti, Zr, Hf, Sn)₂ crystallizes in a α-PbO₂ structure.

Proton conductors are used in diverse applications that require high ionic conductivity at low temperatures and high chemical stability. Here, we report that Ba₂LuAlO₅ shows high proton conductivities, high diffusivity, and high chemical stability without chemical doping.

The solid electrolyte interface reformation process and material evolution in silicon composite anodes is not well understood. Here, the authors develop a correlated workflow to study the structural and chemical progression of silicon and solid electrolyte interface reformation upon cycling.

Liquid metal dealloying is performed by immersing soluble and insoluble elements into a liquid metal bath but this prevents precise composition control. Here, the authors control the amount of soluble element remaining in the microstructure by partial dealloying and applied them to high-entropy alloys.