Garnet‐like luminescence upon Ce3+‐activation is found in the first six representatives Li9RESi4N4O8 (RE = Y, La, Gd, Dy, Yb, Lu) of the substance class of lithium rare‐earth oxonitridolithosilicates, which also show a novel structure type. High‐temperature solid‐state synthesis yielded crystalline samples for single‐crystal X‐ray diffraction‐based ...
Kilian M. Rießbeck+5 more
wiley +1 more source
Solvent polarity effects on the FTIR spectrum, and thermodynamic and electronic properties of metronidazole and its binding with antibacterial drugs: a DFT and molecular docking study. [PDF]
Golj DR+5 more
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A thermoplastic elastomeric glue electrolyte featuring a strongly segregated PVA‐g‐PTFP bottlebrush copolymer exhibits a nanoscale domain architecture, dual‐ion transport pathways, and universal strong interfacial adhesion. The system delivers high ionic conductivity, wide electrochemical stability, and mechanical robustness, offering a versatile ...
Hyuk Jin Roh+4 more
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Polarization and Dipole Moment Effects on Sigma-Hole Potential in Tin(IV)-Porphyrins. [PDF]
Siddiqui R+5 more
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A Review on MXene Terminations
Surface terminations play a decisive role in determining the properties of MXenes. Their coordination, composition and stoichiometry can be tuned both during synthesis and through post synthesis methods to tailor MXenes for optimum performance in applications. This review explores the present understanding of surface terminations.
Hari Hara Sudhan Thangavelu+4 more
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Water confinement in carbon nanocones: molecular dynamics study. [PDF]
Chun K, Lee Y, Jeong J, Kim G, Jang S.
europepmc +1 more source
Complementary Logic Driven by Dielectrophoretic Assembly of 2D Semiconductors
Scalable, parallel fabrication of complementary logic gates is demonstrated using electric‐field‐driven deterministic assembly of electrochemically exfoliated 2D n‐type MoS2 and p‐type WSe2 nanosheets. This strategy yields MoS2 and WSe2 transistors featuring average mobilities of 4.3 and 3.0 cm2 V−1 s−1, respectively, and on/off ratios of > 104 ...
Dongjoon Rhee+10 more
wiley +1 more source
How well do various QM-derived net atomic charges reproduce the electrostatic potential surrounding a material across multiple geometric conformations? [PDF]
Escobosa AC, Manz TA.
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Interfacial Control of Degradation Pathways in 2D Heterostructures
The stability of two‐dimensional (2D) heterostructures is governed not only by their intrinsic chemistry but also by interfacial effects. This study reveals how metallic versus insulating substrates impact the oxidation of air‐sensitive 2H‐MoTe2. Metallic layers act as charge reservoirs, mitigating degradation, while insulating ones accelerate it ...
Yeoseon Sim+12 more
wiley +1 more source
Insights from the Absorption Coefficient for the Development of Polarizable (Multipole) Force Fields. [PDF]
Sappl M+5 more
europepmc +1 more source