Color rendition, luminous efficacy and reliability are three key technical parameters for white light-emitting diodes (wLEDs) that dominantly determined by down-conversion phosphors. However, there is usually an inevitable trade-off between color rendition luminescence because the spectrum of red phosphor (that is, spectral broadness position) cannot satisfy them simultaneously. In this work, we report a very promising can minimize aforementioned via structure band-gap engineering, achieved...

The structure of the material responsible for room temperature and near ambient pressure superconductivity reported in an N-doped lutetium hydride [Nature, 615, 244 (2023)] has not been conclusively determined. Herein, density functional theory calculations are performed attempt to uncover what it might be. Guided by a range strategies including crystal prediction modifications existing types, we present array Lu-N-H phases that dynamically stable at experimentally relevant pressures....

An unique spectral configuration was designed to improve both luminous efficacy and color rendering by using dual red phosphors.

Up to now, the maximum coordination number of iodine is seven in neutral heptafluoride (IF₇) and eight anionic octafluoride (IF₈⁻).

Metal nitrides have been suggested as prospective catalysts for the electrochemical nitrogen reduction reaction (NRR) in order to obtain ammonia at room temperature under ambient pressure. Herein, we report that templated chromium nitride porous microspheres built up by nanocubes (NCs) are an efficient noble-metal-free electrocatalyst NRR. The CrN NCs catalyst exhibits both a high stability and NH3 yield of 31.11 μg h-1 mgcat.-1 with Faradaic efficiency (FE) 16.6% 0.1 M HCl electrolyte....

p-Type PbNCN provides the first experimental evidence in applying inorganic cyanamides as photocathodes for reductive reactions photoelectrochemical cells.

Due to its unsurpassed capability engage in various sp hybridizations or orbital mixings, carbon may contribute expanding solid-state nitrogen chemistry by allowing for different complex anions, such as the known NCN

The existence and structure of BeCN2, the lightest representative II-IV-V2 compounds, have for long remained unsolved, although previous theoretical studies relied on assuming chemical similarity toward known wurtzite-type BeSiN2. To solve BeCN2 puzzle, we now explored its potential-energy surface here predict two additional polymorphs with space groups Cmc21 (porous phase) Pmc21 (graphitic in addition to another I4̅m2 type (carbodiimide-like), which is only slightly higher energy than...

The highest ZT value of n-type Sr₅Sn₂As₆ at 950 K appears a carrier concentration 9.4 × 19 e cm⁻³.

The oxidation state of an element influences its chemical behavior reactivity and bonding. Finding unusual elements is a theme eternal pursuit. As labeled by alkali-earth metal, barium (Ba) invariably exhibits +2 loss two 6s valence electrons while inner 5p closed shell known to remain intact. Here, we show through the reaction with fluorine (F) at high pressure that Ba hitherto unexpected greater than in three pressure-stabilized F-rich compounds BaF3, BaF4, BaF5, where takes on role...

The structure of the material responsible for room temperature and near ambient pressure superconductivity reported in an N-doped lutetium hydride [Nature, 615, 244 (2023)] has not been conclusively determined. Herein, density functional theory calculations are performed attempt to uncover what it might be. Guided by a range strategies including crystal prediction modifications existing types, we present array Lu-N-H phases that dynamically stable at experimentally relevant pressures....

Recent studies have revealed the anionic redox chemistry in Li-rich transition-metal oxides (Li-rich TMOs) which oxygen anions exchange electrons upon lithiation/delithiation rechargeable batteries, thus contributing to extra anion-derived capacity. We report a quantum-chemical study on exploring possible mechanism analogous carbodiimides TMCs). Density-functional theory calculations indeed evidence that Li2Ru(NCN)3 exhibits an accumulative cationic and mechanism, while Li2Mn(NCN)3 shows...

Silver(I) cyanoguanidine nitrate hydrate, Ag(C2N4H4)NO3·½H2O, was synthesized as the first solid-state complex in which monovalent Ag is coordinated through inner nitrogen N atoms. Its structure characterized by single-crystal X-ray diffraction, crystallizing acentric orthorhombic space group P21212 with a = 10.670(3) Å, b 18.236(5) and c 3.5078(9) Å. The differing chemical bondings of Ag(C2N4H4)NO3·½H2O Ag(C2N4H4)3NO3 were compared on basis first-principle calculations.

Taking Heisenberg's and Schrodinger's theories of quantum mechanics as his case study, De Regt's contextual theory understanding argues that recognizing qualitatively characteristic consequences a T without performing exact calculations is criterion for scientific understanding. From the perspective this understanding, task seems to have been achieved already or even finished. This appears disagree with some physicists' attitude in line Richard Feynman's famous slogan "I think I can safely...

Abstract Wegen der einzigartigen Fähigkeit des Kohlenstoffs, verschiedenste sp‐Hybridisierungen oder Orbitalmischungen auszubilden, kann er in unterschiedlichen komplexen Anionen wie bekannten Carbodiimideinheit NCN 2− , dem bis dato unbekannten CN 3 5− ‐Guanidinatanion und ebenso neuartigen 4 8− ‐Orthonitridocarbonat ( onc ) vorliegen insofern das Feld bekannter stickstoffbasierter Festkörperverbindungen erweitern. Die beiden letztgenannten Anionen, bislang noch unbekannt, wurden von uns...

The connecting forms between the adjacent chains in Ca₅M₂As₆ (M = Ga, Sn) play a key role determining their thermoelectric properties.

Magnetic–luminescent nanoparticles are now attracting great attention in biochemistry and biomedicine for their promising bifunctional characteristics. In this work, we propose a strategy of Li+ doping to enhance both the luminescent magnetic properties Fe3O4@Y2O3:Eu3+ core–shell particles. A comprehensive investigation phase assembly, microscopic morphology, luminescence, characteristics particles was carried out. The structured have spherical morphology agglomerated particle size is ~1 μm...

The Eu 2+ activated Zn/Mg co-doped aluminate phosphors for white LEDs was prepared by the solution combustion method at 600˚C successfully.The crystal structure model of phosphor built, and band density states were calculated using CASTEP program based on functional theory.The structure, morphology luminescent properties samples analyzed X-ray diffraction (XRD), scanning electron microscope (SEM) spectrofluorometer, respectively.The results show that sample has a single emission centered...