Intermolecular Interaction Mediated Potassium Ion Intercalation Chemistry in Ether‐Based Electrolyte for Potassium‐Ion Batteries
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202401118
Abstract: Electrolyte design is indeed a highly effective strategy to improve battery performance. However, identifying the intermolecular interaction in electrolyte solvation structure is rarely reported in potassium‐ion batteries. Herein, it is discovered that a solvent‐solvent intermolecular… read more here.
Keywords: intermolecular interaction; chemistry; ion batteries; ion ... See more keywords
Boron-Based Multi-Resonance TADF Emitter with Suppressed Intermolecular Interaction and Isomer Formation for Efficient Pure Blue OLEDs.
Sign Up to like & getrecommendations! Published in 2022 at "Small"
DOI: 10.1002/smll.202107574
Abstract: Multi-resonance (MR) thermally activated delayed fluorescent (TADF) emitters are highly attractive due to their superior color purity as well as efficient light-harvesting ability from singlets and triplets. However, boron and nitrogen-based MR-TADF emitters suffer from… read more here.
Keywords: tadf emitter; interaction; suppressed intermolecular; multi resonance ... See more keywords
Intermolecular Interaction Induced Synergistic Passivation toward Efficient and Stable 1.68 eV Bandgap Perovskite Solar Cells.
Sign Up to like & getrecommendations! Published in 2025 at "Small"
DOI: 10.1002/smll.202504393
Abstract: The performance and stability of wide-band-gap (1.68 eV) perovskite solar cells (PSCs) are critically constrained by two main challenges: i) nonradiative recombination and ii) insufficient environmental stability. In this study, a chemical synergistic passivation strategy is… read more here.
Keywords: intermolecular interaction; solar cells; synergistic passivation; peai ... See more keywords
Fentanyl Assay Derived from Intermolecular Interaction-Enabled Small Molecule Recognition (iMSR) with Differential Impedance Analysis for Point-of-Care Testing.
Sign Up to like & getrecommendations! Published in 2022 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.2c00017
Abstract: Rapid and effective differentiation and quantification of a small molecule drug, such as fentanyl, in bodily fluids are major challenges for diagnosis and personal medication. However, the current toxicology methods used to measure drug concentration… read more here.
Keywords: small molecule; molecule recognition; enabled small; intermolecular interaction ... See more keywords
Accurate Intermolecular Interaction Energies Using Explicitly Correlated Local Coupled Cluster Methods [PNO-LCCSD(T)-F12].
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b01098
Abstract: We present benchmark results for the A24, S66, and X40 sets of intermolecular interaction energies obtained with our recently developed PNO-LCCSD(T)-F12 method. Using the aug-cc-pVQZ-F12 basis set and tight domain options, the root-mean-square (RMSD) and… read more here.
Keywords: lccsd f12; pno lccsd; intermolecular interaction; interaction energies ... See more keywords
Naphthobisthiadiazole-Based π-Conjugated Polymers for Nonfullerene Solar Cells: Suppressing Intermolecular Interaction Improves Photovoltaic Performance.
Sign Up to like & getrecommendations! Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c01606
Abstract: Naphthobisthiadiazole has been known as a promising building unit of π-conjugated polymers for organic photovoltaics (OPVs). Here, we synthesized new NTz-based polymers that were combined with a benzodithiophene (BDT) unit having alkylthienyl substituents in the… read more here.
Keywords: pntzbdt; polymers nonfullerene; intermolecular interaction; conjugated polymers ... See more keywords
Comparison of Carboxybetaine with Sulfobetaine as Lipid Headgroup Involved in Intermolecular Interaction between Lipids in the Membrane
Sign Up to like & getrecommendations! Published in 2017 at "ACS Omega"
DOI: 10.1021/acsomega.7b00574
Abstract: Diacylglycerides (DAGs) constitute an important category of lipids owing to their ability to form a lipid membrane, which can be used in a wide variety of biomedical applications. DAGs often include a zwitterionic polar headgroup… read more here.
Keywords: headgroup; dppc; dppc dpcb; intermolecular interaction ... See more keywords
Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction
Sign Up to like & getrecommendations! Published in 2024 at "CrystEngComm"
DOI: 10.1039/d3ce01124k
Abstract: Perfluorohalogenated naphthalenes (PFXNaPs) are unique small molecules with great potential to exhibit a new type of σ-hole and π-hole bonding, owing to the incorporation of multiple F atoms onto the naphthalene ring. read more here.
Keywords: intermolecular interaction; structure intermolecular; crystal structure; perfluorohalogenated naphthalenes ... See more keywords
Additive-induced intermolecular interaction enhancement enables highly efficient organic solar cells
Sign Up to like & getrecommendations! Published in 2024 at "Journal of Materials Chemistry C"
DOI: 10.1039/d4tc03277b
Abstract: We developed a pyridine-based solvent additive targeting the acceptor moiety. This additive fine-tunes the aggregation, crystallinity, and stacking of the active layer through stronger non-covalent interactions with the acceptor. read more here.
Keywords: intermolecular interaction; enhancement enables; induced intermolecular; enables highly ... See more keywords
Graph-based intermolecular interaction prediction enables rational design of co-crystals
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Materials Chemistry A"
DOI: 10.1039/d5ta02975a
Abstract: Co-crystal engineering has emerged as a promising strategy to tailor the properties of organic materials, yet the mechanistic principles governing co-crystallization remain underexplored. Here, we systematically analyze co-crystal formation using... read more here.
Keywords: enables rational; intermolecular interaction; interaction prediction; graph based ... See more keywords
Intermolecular Interaction in Methylene Halide (CH2F2, CH2Cl2, CH2Br2 and CH2I2) Dimers
Sign Up to like & getrecommendations! Published in 2019 at "Molecules"
DOI: 10.3390/molecules24091810
Abstract: The intermolecular interaction in difluoromethane, dichloromethane, dibromomethane, and diiodomethane dimers has been investigated using high level quantum chemical methods. The potential energy curve of intermolecular interaction along the C⋯C bond distance obtained using the coupled-cluster… read more here.
Keywords: halide ch2f2; methylene halide; ch2f2 ch2cl2; interaction methylene ... See more keywords