Results 161 to 170 of about 71,035 (324)

Hydrogen Bonds under Electric Fields with Quantum Accuracy. [PDF]

J Phys Chem A
Amadeo A, Torre MF, Mráziková K, Saija F, Trusso S, Xie J, Tommasini M, Cassone G.   +7 more
europepmc   +1 more source

State‐of‐the‐Art, Insights, and Perspectives for MOFs‐Nanocomposites and MOF‐Derived (Nano)Materials

Advanced Materials, EarlyView.
Different approaches to MOF‐NP composite formation, such as ship‐in‐a‐bottle, bottle‐around‐the‐ship and in situ one‐step synthesis, are used. Owing to synergistic effects, the advantageous features of the components of the composites are beneficially combined, and their individual drawbacks are mitigated.
Stefanos Mourdikoudis, Subhajit Dutta, Saqib Kamal, Sergio Gómez‐Graña, Isabel Pastoriza‐Santos, Stefan Wuttke, Lakshminarayana Polavarapu   +6 more
wiley   +1 more source

Can We Unambiguously Define the Dipole Moment of Molecules in the Condensed Phase? [PDF]

Molecules
Bakó I, Pothoczki S.
europepmc   +1 more source

Acid/Base‐Responsive Circularly Polarized Luminescence Emitters with Configurationally Stable Nitrogen Stereogenic Centers

Advanced Materials, EarlyView.
Circularly Polarized Luminescence (CPL) emitters based on Tröger's base analogues bearing two peripheral fluorophores (anthracene, pyrene or 9,9‐dimethylfluorene) are prepared following a straightforward and versatile synthetic approach from common precursors.
Pablo García‐Cerezo, Marcos D. Codesal, Arthur H. G. David, Laura Le Bras, Seifallah Abid, Xuesong Li, Delia Miguel, Masoud Kazem‐Rostami, Benoît Champagne, Araceli G. Campaña, J. Fraser Stoddart, Victor Blanco   +11 more
wiley   +1 more source

Recent Advances in Wide‐Bandgap Perovskite Solar Cells

Advanced Materials, EarlyView.
Ubiquitous defects predominately account for photo‐instability and open‐circuit voltage losses in wide‐bandgap perovskite solar cells (WBG PSCs). This review comprehensively presents the underlying impact mechanisms, summarizes the advanced optimization strategies across various functional layers and their interfaces to develop efficient and stable WBG
Jianjun Mei, Feng Yan
wiley   +1 more source

Molecular Compasses for Modulating Electronic Communication in Pillar[5]quinone. [PDF]

J Am Chem Soc
Kwon TW, Wu G, Lei SN, Stoddart JF.
europepmc   +1 more source

Photonic Nanomaterials for Wearable Health Solutions

Advanced Materials, EarlyView.
This review discusses the fundamentals and applications of photonic nanomaterials in wearable health technologies. It covers light‐matter interactions, synthesis, and functionalization strategies, device assembly, and sensing capabilities. Applications include skin patches and contact lenses for diagnostics and therapy. Future perspectives emphasize AI‐
Taewoong Park, Jung Woo Leem, Young L. Kim, Chi Hwan Lee   +3 more
wiley   +1 more source

Conformational Analysis of Neutral and Ionic Arginine Forms Using DFT Methods. [PDF]

ACS Omega
Çağlar F, Aksoy G, Selçuki C.
europepmc   +1 more source

Superior Adhesion of Monolayer Amorphous Carbon to Copper

Advanced Materials, EarlyView.
The adhesion energy of monolayer amorphous carbon on copper substrate is 85 J m−2, 13 times higher than that of graphene due to covalent‐like bonding between the sp2 carbon structure to copper. X‐ray photoelectron spectroscopy (XPS), near‐edge X‐ray absorption (NEXAFS), and (density functional theory) DFT calculations are used to elucidate the ...
Hongji Zhang, Artem K. Grebenko, Konstantin V. Iakoubovskii, Hanning Zhang, Ruslan Yamaletdinov, Anna Makarova, Alexander Fedorov, Rejaul SK, Ranjith Shivajirao, Zheng Jue Tong, Sergey Grebenchuk, Ugur Karadeniz, Lu Shi, Denis V. Vyalikh, Ya He, Andrei Starkov, Alena A. Alekseeva, Chuan Chu Tee, Carlo Mendoza Orofeo, Junhao Lin, Kazutomo Suenaga, Michel Bosman, Maciej Koperski, Bent Weber, Kostya S. Novoselov, Oleg V. Yazyev, Chee‐Tat Toh, Barbaros Özyilmaz   +27 more
wiley   +1 more source

Substituent effect on the electronic, structural, spectroscopic (IR and NMR) properties of H-C@Al12-Para-C6H4X clusters: A DFT outlook

Results in Chemistry
Substituent effect on the electronic, structural, spectroscopic (IR and NMR) properties of H-C@Al12-para-C6H4X clusters was explored at CAM-B3LYP/6-311G(d,p) level of theory. Selected substitutions were NH2, OH, Me, H, Cl, SiH3, CN, NC, NO2.
Reza Ghiasi, Rose Tale, Vahid Daneshdoost   +2 more
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