Highly-doped “mixed” transparent sesquioxide ceramics, 10 at.% Yb:(Lu2/3Sc1/3)2O3, are fabricated by vacuum sintering at 1700 °C followed hot isostatic pressing (HIPing) 1680 and 200 MPa. The ceramics of single-phase nature with a cubic (C-type, = 10.191 Å) structure mean grain size 0.66 μm. They feature high low-signal transmission 79.0% 1.20 Yb3+ ions in exhibit strong inhomogeneous broadenin...

Abstract The effects of transition metal (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) doping on the stability, electronic structure optical properties ? -Ga 2 O 3 have been studied using GGA + U. results show that U value can correct strong interaction d-layer, causing orbital hybridization affecting position number impurity energy levels. It move conduction band to higher levels weaken role Ga-...

Standard ab initio and density functional calculations are carried out to determine the structure, stability, and reactivity of B(12)N(12) clusters with hydrogen doping. To lend additional support, conceptual DFT-based reactivity descriptors and the associated electronic structure principles are also used. Related cage aromaticity of this B(12)N(12) and nH(2)@B(12)N(12) are analyzed through the...

Film bulk acoustic resonators (FBARs) based on aluminum nitride (AlN) and scandium-doped (AlScN) exhibit tremendous application aspects in the radio frequency front-end due to achievable high-frequency characteristics, superior thermal performances compatibility with harsh environments. Delicately controlling resonant (fs) of FBAR is essential for integrating filters or modules. In this work, w...

The luminescence properties of NASICON-type Na3.6M1.8(PO4)3 (M = Y, Lu) and Na3Sc2(PO4)3 phosphates, undoped rare earth-doped (RE Tb3+, Dy3+, Eu3+, Ce3+), were studied using synchrotron radiation in a wide energy region 4.5–45 eV. Intrinsic emission originating from self-trapped excitons with electron component localized at the 3d Sc states was detected both doped while only defect-related regi...

We have investigated the origin of S1-T1 energy levels inversion for heptazine, and other N-doped ?-conjugated hydrocarbons, leading thus to an unusually negative singlet-triplet gap ( ). Since this might rely on substantial doubly-excited configurations S1 and/or T1 wavefunctions, we systematically applied multi-configurational SA-CASSCF SC-NEVPT2 methods, SCS-corrected CC2 ADC(2) approaches, ...

Doped-BaGdInO4 is a promising material for many applications including solid oxide fuel cells due to its high oxide-ion conductivity. Here we employ atomistic simulations show that the activation energy oxygen migration in Ca-doped BaGdInO4 lower as compared undoped and importantly divalent doping will form vacancies. The results are consistent with recent experimental work determined an increa...

We report the improved performance of all-polymer solar cells with bulk heterojunction nanolayers of an electron-donating polymer (poly(3-hexylthiophene) (P3HT)) and an electron-accepting polymer (poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT)), which were both doped with 4-ethylbenzenesulfonic acid (EBSA). To choose the doping ratio of P3HT for all-polymer solar cells, various EBSA dopin...