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Ab initio identification of the Li-rich phase in LiFePO4
A recent discovery of anionic redox activity in Li-rich layered compounds opens a new direction for the design of high-capacity cathode materials for lithium-ion batteries. Here using extensive ab initio calculations, the thermodynamic existence of the Li-rich phase in LiFePO4 to form Li1+xFe1-xPO4 ...

Facile in situ fabrication of oriented titania submicrorods embedded into a superelastic nickel-titanium alloy fiber substrate and their application in solid-phase microextraction
A nickel-titanium oxide (NiO/TiO2) coating was in situ grown on a nickel-titanium alloy (NiTi) fiber substrate by anodic oxidation. After annealing, a uniform and dense Ni-free coating of rutile phase TiO2 submicrorods (TiO2SRs) was formed. In particular, TiO2SRs were embedded into the NiTi fiber su...

On the gas-phase formation of the HCO? anion: Ac- curate quantum study of the H?+CO radiative associ- ation and HCO radiative electron attachment
The hydrogen anion has never been observed in the interstellar medium, but it is most likely present in some interstellar regions. Since a direct detection appears especially difficult, im- proving the knowledge of the astrochemical processes involving this anion should be valuable in defining a way...

Unveiling the complex vibronic structure of canonical adenine cation
Adenine, a DNA base, exists under several tautomers and isomers that are closely lying in energy and that may form a mixture upon vaporization of solid adenine. Indeed, it is challenging to bring adenine in the gas phase, especially as a unique tautomer. The experimental conditions were tuned to pre...

Controlled morphology of ZnSe nanostructures by varying Zn/Se molar ratio: The effects of different morphologies on optical properties and photocatalytic performance
The effects of Zn/Se molar ratios on the morphology and photocatalytic performance of ZnSe nanostructures, which were synthesized by a co-precipitation method, were investigated. To intensively investigate the effects of the Zn/Se ratios, we performed a series of controllable experiments with differ...

A benzimidazole-based highly selective colorimetric and far-red fluorometric pH sensor for intracellular imaging
A turn-on fluorescent probe (E)-4-(2-(1H-benzo[d]imidazol-2-yl)vinyl)-N,N-diphenylaniline (BVD) was facilely synthesized via the ethylene bridging of triphenylamine and benzimidazole. The probe exhibited strong emission enhancement in the vis-NIR fluorescence region at 605 nm with pKa 4.14 and linea...

Fabrication of novel few-layer WS2/Bi2MoO6 plate-on-plate heterojunction structure with enhanced visible-light photocatalytic activity
In this study, a novel few-layer WS2/Bi2MoO6 heterojunction with greatly enhanced visible light photocatalytic performance was synthesized via a facile hydrothermal method. The results indicated that Bi2MoO6 nanosheets were directly grown on the surface of few-layer WS2 and form the plate-on-plate h...

Highly responsive hydrazine sensors based on donor-acceptor perylene diimides: impact of electron-donating groups
Three high-performance hydrazine sensing devices have been developed based on donor-acceptor perylenediimides (PDIs) with strongly electron-donating piperidinyl (PDI-PY), pyrrolidinyl (PDI-PI) and n-hexylamino (PDI-HE) as substituents at perylene core. These PDIs devices, compared with reported PDIs...

Sustainable approach to recycling of multilayer flexible packaging using switchable hydrophilicity solvents
Multilayer Flexible Packaging Waste (MFPW) represents the largest fraction of packaging waste and is composed mainly from multiple plastic films (80 wt. %) laminated with Al foil (5 wt.%). Mechanical and chemical recycling technologies are usually used in EU to separate polymeric fraction from Al, h...

Direct visualization of diffuse unoccupied molecular orbitals at a rubrene/graphite interface
Spectroscopic and nanoscale imaging investigations concerning the spatial extent of molecular orbitals at organic/substrate interfaces have been of intense interest to understand charge dynamics. Here, the spatial extent of unoccupied molecular orbitals of ultrathin rubrene [5,6,11,12-tetraphenyltet...

Stereoselective synthesis of 3-spiropiperidino indolenines via SN2-type ring opening of activated aziridines with 1H-indoles/Pd-catalyzed spirocyclization with propargyl carbonates
3-Spiropiperidino indolenines have been synthesized via novel Lewis acid-catalyzed SN2-type ring opening of activated aziridines with 1H-indoles followed by Pd-catalyzed dearomative spirocyclization with propargyl carbonates in up to 88% yields. The step and pot-economic transformation comprises seq...

Spontaneous separation of on-surface synthesized tris-helicenes into two-dimensional homochiral domains
The on-surface Ullmann coupling of 2,3-dibromo[4]helicene molecules is studied on Au(111) and Cu(111) surfaces. Bis-helicene and tris-helicene are identified with scanning tunnelling microscopy and X-ray photoelectron spectroscopy as reaction products. The produced star-shaped tris-helicenes self-as...

Electro-analytical investigation of potential induced degradation in mc-silicon solar cells: case of sodium ion induced inductive loop
Potential induced degradation of shunt type (PID-s) in multi-crystalline silicon (mc-Si) solar cells is becoming critical for performance reduction of solar panels in large scale photovoltaic (PV) power plants. In this article PID-s has been investigated by applying high voltage stress on mc-Si sola...

Large area efficient interface layer free monolithic perovskite/homo-junction-silicon tandem solar cell with over 20% efficiency
Monolithic perovskite/silicon tandem solar cells show great promise for further efficiency enhancement for current silicon photovoltaic technology. In general, an interface (tunnelling or recombination) layer is usually required for electrical contact between the top and the bottom cells, which incu...

Total Synthesis of the Proposed Structure of Talarolide A
The proposed structure of talarolide A, a cycloheptapeptide featuring a hydroxamate moiety within the peptide backbone, was successfully synthesized. An initial attempt to synthesize a linear peptide precursor containing a C-terminal N-benzyloxy glycine residue was problematic due to an an unreporte...


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