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Random mixed-metal Co1-xNix single-chain magnets with simultaneous azide, carboxylate and tetrazolate bridges
This paper reports the magnetic properties of a series of isomorphous metal-organic frameworks based on random heterometallic Co1-xNix chains with simultaneous azide, carboxylate and tetrazolate bridges. All the mixed-metal compounds show intrachain FM interactions, field-induced metamagnetism, and ...

Hysteretic spin crossover in isomeric iron(II) complexes
Two mononuclear iron(II) complexes with isomeric N,N,N-tridentate pyrimidine-based ligands were synthesized. Both complexes show reproducible hysteretic spin crossover. The low spin state to high spin state switching is cooperative due to autocatalysis....

Elucidating the Performance and Unexpected Stability of Partially Coated Water-Splitting Silicon Photoanodes
H2 is an ideal energy carrier because it has a high energy density, it can be easily stored, transported, and readily used to power electrical devices. Like photosynthesis, where photons are converted into energy-rich molecules, sunlight energy can be converted into H2 and O2 using photoelectrochemi...

Excitation spectroscopic and synchronous fluorescence spectroscopic analysis of the origin of aggregation-induced emission in N,N-diphenyl-1-naphthylamine-o-carborane derivatives
We have synthesised mono-(NpCb) and bis-[(N,N-phenyl-1-naphthylamino)benzo]-o-caboranes (NpCbNp), which show anomalously intense aggregation-induced emission (AIE) at long wavelengths and monomer emission at short wavelengths. The actual concentration of the aggregator in intense AIE is very low, so...

First-principles studies of polar perovskite KTaO3 surfaces: structural reconstruction, charge compensation, and stability diagram
Polar perovskite oxides are of considerable interest for developing advanced functional materials with exceptional electronic properties for their unique polar characters. A cleavage of polar perovskite oxides along the charged layers leads to an electrostatic instability on the cleaved surfaces, an...

Bound electronic states of the smallest fullerene C20? anion
We report on high-level coupled-cluster calculations for the anion states of the smallest fullerene C20. Using the state-of-the-art EA-EOM-CCSD method we revealed that the C20− anion has five bound electronic states at the C20 neutral ground-state D3d equilibrium configuration. These are two pairs o...

Sustainable synthesis of single crystalline sulphur-doped graphene quantum dots for bioimaging and beyond
The forbearing race of biomedical applications has given peak momentum to iconic trendsetter graphene quantum dots (GQDs). GQDs are zero-dimensional fluorescent carbon-nanomaterials, entailing pronounced quantum confinement effect, abundant edge states, and functional groups. Despite its potential a...

The Contact Mechanics Challenge: Tribology meets Soft Matter
In the fall of 2015, Martin M\'user suggested a Contact Mechanics Challenge for the Tribology community. The challenge was an ambitious effort to compare a wide variety of theoretical and computational contact mechanics approaches, and involved researchers voluntarily tackling the same hypothetical ...

1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters
The synthesis, structure and anion recognition properties of an extensive, rationally designed series of bisamide derivatives of 1,8-diaminocarbazole and 1,8-diamino-3,6-dichlorocarbazole are described. Despite simple structures and the presence of only three hydrogen bond donors, such compounds are...

CO2 Promoted Synthesis of Unsymmetrical Organic Carbonate by Switchable Agents Based on DBU and Alcohols
1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU) is an effective nucleophilic catalyst for transesterification of dimethyl carbonate (DMC) with various alcohol and amines, which afforded the unsymmetrical organic carbonate and carbamate. It was observed that the transesterification was accelerated in the pr...

Characterising knotting properties of polymers in nanochannels
Using a lattice model of polymers in a tube, we define one way to characterise different configurations of a given knot as either 'local' or 'non-local', based on a standard approach for measuring the 'size' of a knot within a knotted polymer chain. The method involves associating knot-types to suba...

Continuous detection of HCl and NH3 gases with a high-performance fluorescent polymer sensor
A novel fluorescent triazine-based covalent organic polymer (COP-1) sensor toward HCl and NH3 gases has been designed and synthesized. Both the COP-1 powders dispersed in solvents and the COP-1 film formed on surface of quartz sheets exhibit stable fluorescence and sensitive HCl/NH3 response. Immers...

Fabrication of planar heterojunction CsPbBr2I perovskite solar cell using ZnO as electron transport layer & improved solar energy conversion efficiency
Inorganic lead halide perovskite solar cells with mixed halides have achieved reasonable power conversion efficiency with the advantage of an enhanced stability. In this work, we report the fabrication of an all inorganic cesium lead bromoiodide based planar perovskite solar cell with ZnO electron t...

Self-doped Colloidal Semiconductor Nanocrystals with Intraband Transitions in Steady State
The tunable bandgap energy has been recognized as a prominent feature of the colloidal semiconductor nanocrystal, also called the colloidal quantum dot. Due to the broken degeneracy caused by the quantum confinement effect, the electronic states of the conduction band are separated by a few hundred ...

Transition metal cations on the move: simultaneous operando X-ray absorption spectroscopy and X-ray diffraction investigations during Li uptake and release of a NiFe2O4/CNT composite
We report on results of a comprehensive investigation on reaction mechanisms occurring during Li uptake and release of the composite NiFe2O4/CNT. Operando X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS) data collected simultaneously using one in situ cell allowed thorough elucidation...


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