Results 41 to 50 of about 114,906 (245)
Al-Iraqia Journal for Scientific Engineering ResearchThe electronic structure and some thermodynamic properties of Carvacrol molecule were investigated in detail with calculations at MP2/6-311G(d,p) level in environments such as gas, n-octanol, acetone, ethanol, acetonitrile, DMF, water.
Fatma Genç +2 more
doaj +1 more source
HOMO and LUMO orbitals of the investigated complexes using the B3LYP/SDD method.
, 2021 HOMO and LUMO orbitals of the investigated complexes using the B3LYP/SDD method.
Abeer A. Sharfalddin (10652888) +3 more
core +1 more source
HOMO and LUMO structures of quinolone derivatives in gas and solvent (water) phase.
, 2022 HOMO and LUMO structures of quinolone derivatives in gas and solvent (water) phase.
Syeda Abida Ejaz (4816971) +9 more
core +1 more source
Advanced Engineering Materials, EarlyView.This study reports the development of antibacterial ceramic scaffolds derived from natural bovine bone. The bones were processed through sequential boiling and hydrogen peroxide treatment to remove organic matter, producing porous, mineral‐rich scaffolds.
Mohamad Hassan Taherian +6 more
wiley +1 more source
Enhancing Low‐Temperature Performance of Sodium‐Ion Batteries via Anion‐Solvent Interactions
Advanced Functional Materials, EarlyView.DOL is introduced into electrolytes as a co‐solvent, increasing slat solubility, ion conductivity, and the de‐solvent process, and forming an anion‐rich solvent shell due to its high interaction with anion. With the above virtues, the batteries using this electrolyte exhibit excellent cycling stability at low temperatures. Abstract Sodium‐ion batteries
Cheng Zheng +7 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Here, SubNc single‐component organic photodiodes (SC‐OPDs) are investigated, which achieve highly competitive performance metrics, including high EQE, ultra‐low JD, and high specific detectivity (D*). This study emphasizes the critical role of an organic buffer layer in studying the interface energetics and effects to achieve state‐of‐the‐art ...
Anncharlott Kusber +12 more
wiley +1 more source
Advanced Functional Materials, EarlyView.This study demonstrates that memristors can replace conventional 2T–1C driving circuits with simplified 1T–1 m architectures by exploiting resistance switching. With ultra‐low switching voltages (< ±0.2 V) and multi‐level resistance states, the memristors precisely control the current injected into organic light‐emitting diodes (OLEDs).
Dong Hyun Kim +6 more
wiley +1 more source
Advanced Functional Materials, EarlyView.A bilayer “Anchor‐and‐Seal” passivation strategy using EDAI2 and 4MeO‐PEAI effectively mitigates surface defects in vacuum‐processed perovskite films through synergistic hydrogen bonding and Lewis base coordination. This approach optimizes interfacial energy alignment and suppresses non‐radiative recombination, enabling vacuum‐deposited p‐i‐n ...
Mohammadhossein Kohan +4 more
wiley +1 more source
Formation of Quasi‐Decoupling Interface on Li‐Metal Anodes in High Donor Electrolyte
Advanced Functional Materials, EarlyView.Li‐metal anode (LMA) is stabilized by introducing Li2Te2 as an electrolyte additive for Li‐metal batteries. Upon contact with Li, Li2Te2 spontaneously converts to Li2Te, which electronically isolates Li from dimethyl sulfoxide due to its large bandgap and minimal Bader charge transfer.
Hyerim Kim +9 more
wiley +1 more source
Energy Level Modulation of HOMO, LUMO, and Band‐Gap in Conjugated Polymers for Organic Photovoltaic Applications [PDF]
, 2013 To devise a reliable strategy for achieving specific HOMO and LUMO energy level modulation via alternating donor‐acceptor monomer units, we investigate a series of conjugated polymers (CPs) in which the electron withdrawing power of the acceptor group is
Yutaka Ie +19 more
core +1 more source