Results 151 to 160 of about 13,758 (245)

Prediction of Homolytic Bond Dissociation Enthalpies for Organic Molecules at near Chemical Accuracy with Sub-Second Computational Cost

, 2019
Bond dissociation enthalpies (BDEs) of organic molecules play a fundamental role in determining chemical reactivity. However, BDE computations at sufficiently high levels of quantum mechanical (QM) theory require substantial computing resources.
Yeonjoon, Kim, Robert, Paton, Peter, St. John, Seonah, Kim, Yanfei, Guan   +4 more
core   +1 more source

A Dislocation Perspective on Strength and Toughness in Ceramics

Advanced Engineering Materials, EarlyView.
Dislocations in ceramics enjoy a long but yet under‐appreciated history. The three research waves for dislocations in ceramics highlight the topic evolution over the last 90 years. This review focuses on the impact of dislocation on strength and toughness in ceramics.
Xufei Fang
wiley   +1 more source

Enhancing Low‐Temperature Performance of Sodium‐Ion Batteries via Anion‐Solvent Interactions

Advanced Functional Materials, EarlyView.
DOL is introduced into electrolytes as a co‐solvent, increasing slat solubility, ion conductivity, and the de‐solvent process, and forming an anion‐rich solvent shell due to its high interaction with anion. With the above virtues, the batteries using this electrolyte exhibit excellent cycling stability at low temperatures. Abstract Sodium‐ion batteries
Cheng Zheng, Qian Yao, Yanan Sun, Hongyu Lv, Zhongchao Bai, Guoliang Zhang, Nana Wang, Jian Yang   +7 more
wiley   +1 more source

Carbonylative transformation of aryl halides and strong bonds via cheap metal catalysts and sustainable technologies

Green Synthesis and Catalysis
The development of catalytic carbonylation reactions has increased considerably. Although many reviews/chapters/books on carbonylation reactions have been published, summaries on cheap metal-catalyzed catalytic carbonylation reactions of aryl halides and
Maolin Yang, Yukun Liu, Xin Qi, Yanhua Zhao, Xiao-Feng Wu   +4 more
doaj   +1 more source

Insights in Catalytic Denitrogenation and Deoxygenation on Whole Molecules and Aromatic Cores of Dongming Coal in Four Solvents by Using Ion-Source Collision-Activated Dissociation Mass Spectrometry

, 2018
Insights in Catalytic Denitrogenation and Deoxygenation on Whole Molecules and Aromatic Cores of Dongming Coal in Four Solvents by using Ion-Source Collision-Activated Dissociation Mass ...
Xueming, Dong, Chu-Fan, Wang, Yun-Peng, Zhao, Xing, Fan, Xian-Yong, Wei, Ge, Wu, Feng-Yun, Ma   +6 more
core   +1 more source

DNA‐Templated 2D Heterostructures as Phototriggered Dynamic Nanohybrids: From Releasing Molecular Loads to Controlling Enzyme Biocatalytic Function

Advanced Functional Materials, EarlyView.
DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen, Haosen Miao, Weiying Hong, Matteo Palma   +3 more
wiley   +1 more source

Polarizable Vanadium Dipoles Promote Water Dissociation on Vanadium‐Based Metal Organic Framework

Advanced Functional Materials, EarlyView.
The polarization of unpaired V 3d electrons weakens the H─O bond to improve water dissociation by the dual Vδ+:O─H and Pλ−:H─O coupling hydrogen bonds formation and relaxation. P@V‐MOF electrocatalyst shows low overpotentials (94 mV in acid, 178 mV in neutral, and 77 mV in alkaline solutions) with excellent stability for effective overall water ...
Xinjuan Liu, Jun Xu, Minmin Fan, Jingcheng Xu, Mengyuan Li, Yun Gong, Weiwei Yang, Lei Li, Yong Zhou, Deqiang Zhao, Yuhua Xue, Xingtao Xu, Chang Q. Sun, Liming Dai   +13 more
wiley   +1 more source

Elucidating Ionization Behavior: Potentiometric Titration for Precise Determination of pKa Values in Medicinal Chemistry

Pharmata
The determination of pKa values holds paramount importance in the field of medicinal chemistry, serving as a critical parameter for understanding the ionization behavior of pharmaceutical compounds.
Safiye Nihal Aydoğdu, Durişehvar Ünal
doaj  

Intermediate Resistive State in Wafer‐Scale Vertical MoS2 Memristors Through Lateral Silver Filament Growth for Artificial Synapse Applications

Advanced Functional Materials, EarlyView.
In MOCVD MoS2 memristors, a current compliance‐regulated Ag filament mechanism is revealed. The filament ruptures spontaneously during volatile switching, while subsequent growth proceeds vertically through the MoS2 layers and then laterally along the van der Waals gaps during nonvolatile switching.
Yuan Fa, Milan Buttberg, Ke Ran, Rana Walied Ahmad, Dennis Braun, Lukas Völkel, Jimin Lee, Sofía Cruces, Bart Macco, Bárbara Canto, Holger Lerch, Thorsten Wahlbrink, Holger Kalisch, Michael Heuken, Andrei Vescan, Joachim Mayer, Zhenxing Wang, Ilia Valov, Stephan Menzel, Max C. Lemme   +19 more
wiley   +1 more source

Strain‐Programmable Luminescent Adhesive Patch With Tartrazine‐Mediated Optical Skin Clearing for Photochemical Tissue Bonding

Advanced Functional Materials, EarlyView.
We propose a suture‐complementary approach that integrates optical skin clearing with a strain‐programmable luminescent adhesive patch. Hyaluronic acid promotes transdermal delivery of tartrazine to improve optical clearing and stabilizes its interaction with a photosensitizer. Optical clearing increases the penetration depth of visible light into skin,
Seong‐Jong Kim, Kyungjoo Jo, Kwanghyeon Park, Jun Hee Kim, Jong Hyeong Cho, Inhoo Choi, Sei Kwang Hahn   +6 more
wiley   +1 more source