Results 161 to 170 of about 49,832 (253)

Tuning the ²LMCT Deactivation of Cyclometalated Iron Carbene Complexes with Electronic Substituent Effects. [PDF]

Chemistry
Mishra A, Sharma K, Johnson CE, Fosu EA, Schwarz J, Prakash O, Gupta AK, Huang P, Lindgren F, Häggström L, Bendix J, Jakubikova E, Lomoth R, Wärnmark K.   +13 more
europepmc   +1 more source

Amorphous π‐Conjugated Passivator Facilitates Widening Process Window for Reliable Perovskite Solar Modules

Advanced Energy Materials, EarlyView.
A wide process window is essential for the commercialization of perovskite photovoltaics. Here, we demonstrate an amorphous π‐conjugated passivator having an asymmetric mono‐iodine substituent on a carbazole moiety imparts a high dipole moment, desirable molecular energy levels, and high thickness tolerance, thereby enabling a wide process window in ...
Hyun Seo Kim, Young Yun Kim, Hyejin Na, You‐Hyun Seo, Sung Jae Na, Seulyi Lee, Mingi Kang, Jinuk Jang, Daehyeok Kim, Yeonkyeong Ju, So‐Min Yoo, Jae Yong Park, Bong Joo Kang, Geun Ho Gu, Tae Joo Shin, Jaemin Lee, Nam Joong Jeon, Eui Hyuk Jung   +17 more
wiley   +1 more source

Rhenium Chalcogenide Clusters Containing <i>para</i>-Substituted Phenylacetylide Ligands: Synthesis, Characterization, and Investigation of Substituent Effects on Spectroscopic and Electrochemical Properties. [PDF]

Organometallics
Helmink KL, Hicks CA, Lauper-Cook BS, Peters SJ, Daley CJA, Molard Y, Szczepura LF.   +6 more
europepmc   +1 more source

Molecular Design Strategies for High‐Voltage Organic Cathodes

Advanced Energy Materials, EarlyView.
This work proposes molecular engineering strategies for high‐voltage organic cathode materials for Li‐ion batteries: (1) increase Li‐O coordination number (CN), (2) achieve a greater increase in aromaticity upon reduction (∆Aromaticity), and (3) add an electron‐withdrawing group (EWG), through a combined experimental and computational study on reported
Sungil Hong, Alae Eddine Lakraychi, Artur Lyssenko, Abhishek Ashwin Panchal, Harshan Reddy Gopidi, Pieremanuele Canepa, Rafael Gómez‐Bombarelli, Yan Yao, Rajeev Surendran Assary   +8 more
wiley   +1 more source

Substituent Effects on Crystal Engineering of DNBT-Based Energetic Cocrystals: Insights from Multiscale Computational Analysis. [PDF]

Materials (Basel)
Shi L, Liu M, Xie S, Li S, Liu S, Yuan S, Duan X, Li H.   +7 more
europepmc   +1 more source

Surface Acidity Engineering: From Fundamental Insights to Universal Design Rules for Electrocatalytically and Electrically Active Oxides

Advanced Energy Materials, EarlyView.
This comprehensive review highlights surface acidity engineering as a versatile strategy to modulate surface charge and boost catalytic performance in functional oxides. It explores recent advances in practical implementation, structural reconstruction approaches, and mechanistic origins from diverse complementary viewpoints.
Gyu Rac Lee, Harry L. Tuller
wiley   +1 more source

Akamptisomerism as a Switching Element: Substituent Effects on Bond Angle Reflection and Photophysical Properties of B-O-B Porphyrins. [PDF]

Inorg Chem
de Andrade KN, Raffaeli NM, Fiorot RG.
europepmc   +1 more source

Molecular Interfacial Regulators Enable Stable Sulfide Electrolytes for High‐Performance All‐Solid‐State Batteries

Advanced Energy Materials, EarlyView.
Molecular surface regulation enabled by fluoropyridines stabilizes sulfide electrolyte interfaces across both reductive and oxidative regimes. By suppressing interfacial decomposition, the modified LPSClBr enables high‐voltage operation, stable stripping/plating of Li metal, and long‐life full cells with uncoated cathodes.
Laras Fadillah, Hanna Türk, Weicheng Hua, Leonie Braks, Mingliang Liu, Jihoon Oh, Michele Ceriotti, Mario El Kazzi, Jang Wook Choi, Ali Coskun   +9 more
wiley   +1 more source

Substituent Effects on Cooperativity in Three-Component H-Bond Networks Involving Phenol-Phenol Interactions. [PDF]

J Am Chem Soc
Trevisan L, Bond AD, Hunter CA.
europepmc   +1 more source

Molecular Engineering of Polytriphenylamine: A Fluorinated Cathode for High‐Voltage, Ultrafast, and Stable Sodium‐Ion Batteries

Advanced Energy Materials, EarlyView.
Fluorination of polytriphenylamine lowers the HOMO energy, enabling high‐voltage operation of the PFTPA cathode. Electron‐withdrawing F substituents stabilize the nitrogen redox center and suppress polarization, leading to fast kinetics. The optimized polymer delivers ∼3.75 V vs.
Natalia Voronina, Irina A. Chuyko, Michael D. Khitrov, Koji Yazawa, Hitoshi Yashiro, Yuriy N. Luponosov, Seung‐Taek Myung   +6 more
wiley   +1 more source