Results 111 to 120 of about 56,095 (275)

Rational Backbone Planarization for Doping‐Resilient Polymeric Hole Transport Materials Toward Stable and Scalable Perovskite Solar Cells

Advanced Energy Materials, EarlyView.
Incorporating divinylbenzene into PTAA‐based copolymers induces backbone planarization and promotes polaron delocalization, leading to enhanced doping resilience and stabilized electronic structure. The resulting hole‐transport material, PDVB14, maintains robust performance under high dopant concentrations and prolonged device operation, offering a ...
Chanhyeok Kim, Seung Un Ryu, Du Hyeon Ryu, Hangyeol Kim, Jeongsu Kim, Dohyun Kim, Junwoo Lee, Kyeong‐Jun Jeong, Chang Eun Song, Sung Yun Son, Minjun Kim   +10 more
wiley   +1 more source

Homoleptic and Heteroleptic Carbones L1‐C‐L2

Angewandte Chemie, EarlyView.
DFT and CCSD(T) calculations reveal that heteroleptic carbones L₁–C–L2 are thermodynamically stable species even with a weakly binding donor such as N2. Bond strengths show no simple correlation with bond lengths. Weaker carbon‐ligand bonds in homoleptic complexes L1─C─L1 are mostly strengthened in heteroleptic carbons L1─C─L2, while stronger bonds L2 ...
Ya Hu, Jiayi Chen, Qin Ma, Lili Zhao, Gernot Frenking   +4 more
wiley   +2 more sources

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

π‐Enlargement in Porphyrin Macrocycles at Interfaces

Angewandte Chemie, EarlyView.
On‐surface synthesis of a 20‐π free‐base expanded porphyrin, by depositing onto a hot Ag(111) substrate an 18‐π free‐base precursor equipped with ‐CF3 functional groups ABSTRACT Porphyrins are essential heteroatomic macrocycles, fundamental to both biological systems and advanced technology.
Ana Barragán, Elena Pérez‐Elvira, Alba García‐Frutos, Diego J. Vicent, Pingo Mutombo, Koen Lauwaet, José M. Gallego, Rodolfo Miranda, José I. Urgel, Aurelio Gallardo, Nazario Martín, David Écija   +11 more
wiley   +2 more sources

Hyperconjugative stabilization of silicenium ions: kinetics of hydride abstractions from .beta.-element-substituted silanes [PDF]

, 1993
Basso, Nils, Goers, Solvig, Mayr, Herbert, Popowski, Eckhard   +3 more
core   +1 more source

Molecular Design and Interfacial Functions of Self‐Assembled Monolayers for Perovskite and Tandem Solar Cells

Advanced Energy Materials, EarlyView.
We identify two decisive levers for SAM interfaces: molecular design (carboxylic acid‐based, phosphonic acid, other anchoring chemistries, and polymeric SAMs) and mixing routes (co‐assembly, in situ assembly, pre‐ and post‐treatment). Coordinated tuning of headgroups and assembly pathways optimises energy alignment and film formation, suppresses ...
Jiaxu Zhang, Bochun Kang, Feng Yan
wiley   +1 more source

Electroactive Metal–Organic Frameworks Enabling Unidirectional Electrochemical Capacitors and Logic Gates (MOF‐CAPode)

Angewandte Chemie, EarlyView.
MOF‐CAPodes are introduced by pairing various p‐MOFs with an n‐MOF as electrode materials in a battery‐like assembly. The devices achieve high figures of merit (RRI = 23.5; RRII = 94.4%) and perform excellently in prototypical logic gates (AND, OR) highlighting a new direction for ionological systems based on electroactive MOFs.
Tim Engelhardt, Leonid Shupletsov, Christin Gellrich, Cécilia Bauden, Przemyslaw Galek, Ahmed Bahrawy, Sonila Xhafa, Irena Senkovska, Julia Grothe, Stefan Kaskel   +9 more
wiley   +2 more sources

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Regioselective Synthesis of Benzylsilanols from Kobayashi‐Type Reagents via C(sp3)─H Bond Activating 1,4‐Palladium Migration

Angewandte Chemie, EarlyView.
A Pd‐catalyzed regioselective synthesis of benzylsilanols from Kobayashi‐type reagents has been developed through a mechanistically distinct approach involving 1,4‐Pd migration followed by intramolecular transmetalation. The reaction can be combined with various prior transition‐metal‐catalyzed processes and the resulting benzylsilanols have been ...
Ryo Shintani, Keisuke Tachibana
wiley   +2 more sources

Structurally Constrained Stibenium: Metallomimetic C−Si Bond Activation

Angewandte Chemie, EarlyView.
A structurally constrained stibenium cation supported by a 2,6‐bis(o‐carborano)pyridine pincer‐type ligand was prepared, and its preliminary reactivity toward silanes was investigated. Remarkably, Si−C bonds in silanes undergo activation via an oxidative‐addition‐type process at the cationic Sb center.
Donia Toami, Roman Dobrovetsky
wiley   +2 more sources