Results 181 to 190 of about 60,540 (292)

Computational Investigation of Substituent Effects on the Fluorescence Wavelengths of Oxyluciferin Analogs. [PDF]

J Photochem Photobiol A Chem, 2022
Satalkar V, Benassi E, Mao Y, Pan X, Ran C, Chen X, Shao Y.   +6 more
europepmc   +1 more source

Beyond Descriptor‐Based AI Design: Sp2‐Hybridized Branched Side Chains Enable Pre‐Aggregation–Driven Seeding Effects in Green‐Solvent‐Processed Organic Solar Cells

Advanced Energy Materials, EarlyView.
sp2‐hybridized branched side chains are introduced as a new molecular design for NFAs, YBOV, inducing strong solution‐state pre‐aggregation. This pre‐aggregation enables universal seeding motifs, highly ordered film growth, and overcoming the intrinsic current–voltage trade‐off, achieving 19.67% efficiency via green‐solvent processing beyond descriptor‐
Seokhwan Jeong, Donghoo Won, Zhe Sun, Chihyung Lee, Jaewook Kim, Seunglok Lee, Sangjin Yang, Jieun Kim, Keonho Yoon, Dong Young Kim, Yongjoon Cho, Seung‐Jae Shin, Hee‐Seung Lee, Doo‐Hyun Ko, Changduk Yang   +14 more
wiley   +1 more source

Efficient Synthesis of Chemically Recyclable Polyamides via Substituent Effects-Enabled Mechanistic Pathway. [PDF]

Angew Chem Int Ed Engl
Ma Y, Zheng C, Raphaël Bréas D, Slor G, Molleyres APA, Liao Q, Stellacci F.   +6 more
europepmc   +1 more source

Substituent Effects of the Nitrogen Heterocycle on Indole and Quinoline HDN Performance: A Combination of Experiments and Theoretical Study. [PDF]

Int J Mol Sci, 2023
Jiang S, Ding S, Zhou Y, Yuan S, Geng X, Cao Z.   +5 more
europepmc   +1 more source

Organic Photoelectrochemical Cells Beyond Performance: Interface and Catalyst Engineering for Durability

Advanced Energy Materials, EarlyView.
Organic photoelectrochemical cells based on π‐conjugated semiconductors offer a versatile platform for solar fuel generation. This review outlines operating principles, device architectures, and key metrics, and highlights advances in p‐ and n‐type photoelectrodes, interfacial engineering, and catalyst integration.
Jaehyeong Kim, Jung Min Ha, Yeonjeong Lee, Seung Won Oh, Wangyeon Lee, Munsu Kwon, Soonyong Lee, Jin Young Kim, Han Young Woo   +8 more
wiley   +1 more source

Development and Validation of Atomic Group Descriptors for Substituent Effects. [PDF]

J Comput Chem
Lefrancois-Gagnon K, Mawhinney R.
europepmc   +1 more source

Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene. [PDF]

Chem Sci, 2023
Takase M, Takata T, Oki K, Mori S, Uno H.   +4 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

A Kinetic–Energetic Bottleneck of Charge‐Transfer Injection Governs Energy Loss in Organic Solar Cells

Advanced Energy Materials, EarlyView.
Kinetic–energetic projection of time‐resolved photoluminescence reveals that charge‐transfer injection acts as a universal bottleneck in organic solar cells. A physics‐constrained Bayesian framework identifies an emergent effective CT injection rate governing the trade‐off between charge generation and nonradiative energy loss.
Rong Wang, Tobias Osterrieder, Atul Shukla, Christos L. Chochos, Vasilis G. Gregoriou, Yakun He, Hua Tang, Julian Matthias Haffner‐Schirmer, Karen Forberich, Ning Li, Thomas Heumueller, Frédéric Laquai, Jens Hauch, Safa Shoaee, Dieter Neher, Larry Lüer, Christoph J. Brabec   +16 more
wiley   +1 more source

Triarylpyrylium-based fluorescent DNA-binding dyes - facile synthesis, substituent effects, and sensing mechanism. [PDF]

RSC Adv
Domahidy F, Cseri L, Turczel G, Huszár B, Rózsa BJ, Mucsi Z, Kovács E.   +6 more
europepmc   +1 more source