Results 201 to 210 of about 49,207 (274)

Theoretical insights of silicene doped with transition metals as C - reactive protein biosensors for cardiac vascular applications using density functional theory. [PDF]

RSC Adv
Devi P K, T A, Singh KK, Gaidhane VH, Sood N.   +4 more
europepmc   +1 more source

Novel 1,2,3-Triazole–Piperazine Compounds: Synthesis, HOMO–LUMO Gap Insights, And Antioxidant Potential Via Pharmacophore Modeling

C. Geethapriya Loganathan, Karthickeyan Krishnan   +1 more
openalex   +2 more sources

Electronic‐State Polarization Engineering‐Regulated Fluorinated Covalent Organic Framework Nanocables for Fast Lithium‐Ion Storage

Advanced Science, EarlyView.
Electronic‐state polarization engineering is realized by constructing fluorinated COF nanocables on conductive CNTs scaffolds. The polar C─F units generate localized electric fields and strong ion‐dipole interactions, promoting Li+ adsorption and transport.
Kaifu Xu, Jianfei Shi, Yuting Qin, Di He, Chengyin Wang, Tianyi Wang   +5 more
wiley   +1 more source

Quantum Chemical Properties of Fluorouracil/XZn₁₁O₁₂ (X = Zn, Cu, Fe, Ni) Nanocomplexes and Interactions with Human Serum Albumin. [PDF]

ChemistryOpen
Kshetri MB, Sharma N, Khanal K, Ghimire MP, Lamichhane TR.   +4 more
europepmc   +1 more source

Intermolecular Aggregation‐Induced Delayed Fluorescence Scintillators for Ultrahigh‐Resolution X‐Ray Imaging

Advanced Science, EarlyView.
An intermolecular AIDF strategy enables an organic X‐ray scintillator (OXST) that resists concentration quenching and efficiently utilizes singlet and triplet excitons. The AIDF emitter, embedded in a polysulfone matrix, yields bright, flexible, and transparent scintillation screens with ultralow detection limits and high spatial resolution, offering a
Jie Yuan, Ying Liu, Botao Zheng, Xu Zhao, Yongrong Wang, Peng Zhang, Yifei Liu, Jingxia Zheng, Ping Li, Jianwei Li, Shen Xu, Runfeng Chen, Ye Tao   +12 more
wiley   +1 more source

Which <i>ab initio</i> calculation methods describe the charge transfer in ionic liquid vapors? Case study on EMIM-OTF reveals the frontier orbitals and the ionization threshold. [PDF]

RSC Adv
Kuusik I, Kivimäki A, Kisand V.
europepmc   +1 more source

Ultrathin Quasi‐2D Perovskite‐Organic Segregated‐Structure Coupling for High‐Performance Narrowband Photomultiplication Detectors

Advanced Science, EarlyView.
Quasi‐2D perovskite‐organic segregated‐structure coupling enables low‐power narrowband photomultiplication photodetectors with 110 nm perovskite layer. The optimal device achieves 1200% EQE and 1.82 × 1011 Jones D* at 3 V, offering a new strategy for miniaturized high‐selectivity optoelectronic sensing.
Hongfei Qu, Peng He, Xingchao Zhao, Yongchao Xie, Fulong Huang, Xiaoling Ma, Byung Hui Lee, Han Young Woo, Yumeng Shi, Zuliang Zhuo, Fujun Zhang, Xixiang Zhu   +11 more
wiley   +1 more source

Tuning the Optoelectronic and Photovoltaic Properties of Natural Chlorophyll Dye Molecules via Solvent Interaction: A Computational Insight. [PDF]

Nanomaterials (Basel)
Al-Seady MA, Abed HH, Abduljalil HM, Kahaly MU.   +3 more
europepmc   +1 more source

Electrostatic Potential Complementarity for Thickness‐Tolerant Cathode Interlayers in High‐Efficiency Organic and Tandem Solar Cells

Advanced Science, EarlyView.
Two model molecules — trimesic acid (TMA) and phloroglucinol (PG) — with opposite central electrostatic potential (ESP) distributions are employed to elucidate how molecular electrostatic interactions regulate the cathode interlayer (CIL) PDINN. Electrostatic potential complementarity is revealed as the intrinsic origin of thickness sensitivity in CILs,
Xiaoman Ding, Dana Mukasheva, Jiaxu Che, Guangye Zhang, Xiuze Hei, Haoran Lin, Jie Lv, Patrick Fong, Zhiwei Ren, Annie Ng, Mingjian Yuan, Hongyu Zhang, Gang Li, Hanlin Hu   +13 more
wiley   +1 more source

Subshell Stability in Superatomic Clusters and the Formation of Stable Magnetic Motifs. [PDF]

J Phys Chem A
Kumar D, Reber AC, Khanna SN.
europepmc   +1 more source