Results 221 to 230 of about 85,379 (320)

Cocrystal Trimorphism as a Consequence of Orthogonality of Halogen- and Hydrogen-Bonding [PDF]

, 2019
Filip Topić, Katarina Lisac, Mihails Arhangelskis, Kari Rissanen, Dominik Cinčić, Tomislav Friščić   +5 more
openalex   +1 more source

Multiscale Perspectives on Perovskite Instability: From Atomistic Deformation to Device Degradation in Perovskite Solar Cells

Advanced Energy Materials, EarlyView.
Multiscale perspectives on how excess charges in soft lead halide perovskites induce operational instability in photovoltaic devices are presented. Localized carriers formed under thermodynamic non‐equilibrium states modify atomistic interactions and drive lattice distortions, accelerating device degradation.
Joo‐Hong Lee, Donghyeon Lee, Seoyoon Lee, Jin‐Wook Lee, Mansoo Choi, Min‐cheol Kim, Namyoung Ahn   +6 more
wiley   +1 more source

Elucidation of Organohalogenochromism (OHC) of D-A Pyridinium and D-π-A Pyridinium Dyes: Effect of Halogen Bond. [PDF]

Chem Asian J
Kozuka K, Imato K, Ooyama Y.
europepmc   +1 more source

MOESM4 of AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina

, 2016
Mathew Koebel, Grant Schmadeke, Richard G. Posner, Suman Sirimulla   +3 more
openalex   +1 more source

Supramolecularly Directed Confined Crystallization of Lamellar Carbon Nitride for Efficient Photocatalytic Hydrogen Generation

Advanced Energy Materials, EarlyView.
ABSTRACT Sustainable hydrogen generation through water splitting is key to realizing a future hydrogen economy. In this study, we achieved molecular‐level control over self‐assembled supramolecular complexes of cyanuric acid and 3‐amino 1,2,4 triazole (AT) monomers. This was coupled with molten‐salt‐assisted thermal polymerization in a eutectic mixture
Nithinraj Panangattu Dharmarajan, Mohammed Fawaz, Jae‐Hun Yang, Matej Huš, Xuan Minh Chau Ta, Ayona K. Jose, Vibin Perumalsamy, Aathira M. Sadanandan, CI Sathish, Blaž Likozar, Byoung‐Hwa Lee, Chung‐Hwan Jeon, Antonio Tricoli, Ajayan Vinu   +13 more
wiley   +1 more source

Elucidating the Transition Kernel and Anharmonic Coupling in the Spin‐crossover Process of a [FeIII(qsal)2] CH3OSO3 Complex

Angewandte Chemie, EarlyView.
Ultrafast broadband transient absorption spectroscopy and multireference excited‐state nonadiabatic calculations in an open‐shell Fe(III) complex unveil the rich electronic and vibrational dynamics detailing the key reactive modes driving the spin‐crossover process.
Soumyajit Mitra, Dilara Farkhutdinova, Sebastian Mai, Stuart A. Hayes, Yifeng Jiang, Tadahiko Ishikawa, Kazuyuki Takahashi, Leticia González, R. J. Dwayne Miller   +8 more
wiley   +2 more sources

Halogen bond-modulated solid-state reordering and symmetry breaking of azahelicenes. [PDF]

Nat Commun
Liang J, Gan F, Zhang G, Shen C, Qiu H.
europepmc   +1 more source

The Influence of Secondary Interactions on the [N-I-N]⁺ Halogen Bond. [PDF]

Chemistry, 2021
Lindblad S, Boróka Németh F, Földes T, von der Heiden D, Vang HG, Driscoll ZL, Gonnering ER, Pápai I, Bowling N, Erdelyi M.   +9 more
europepmc   +1 more source

Introduction to the special issue on halogen bonding

, 2017
Máté Erdélyi, Pierangelo Metrangolo
openalex   +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