Results 191 to 200 of about 218,969 (305)

Adsorption and Separation by Flexible MOFs

Advanced Materials, EarlyView.
Flexible metal–organic frameworks (MOFs) present significant potential for gas storage and separation due to their structural dynamic. This review explores the rationale behind the flexible MOFs' enhanced working capacity and separation factors. It also addresses key challenges, including phase transition kinetics, crystal robustness, cycling, shaping,
Irena Senkovska, Volodymyr Bon, Antonia Mosberger, Yutong Wang, Stefan Kaskel   +4 more
wiley   +1 more source

Alkyne dichotomy and hydrogen migration in binuclear cyclopentadienylmetal alkyne complexes. [PDF]

RSC Adv
Li H, Luo J, Chen H, Lu R, Hu Y, Wang H, Wang Y, Fan Q, King RB, Schaefer HF.   +9 more
europepmc   +1 more source

The Structure‐Mechanics Relationship of Bamboo‐Epidermis and Inspired Composite Design by Artificial Intelligence

Advanced Materials, EarlyView.
This article investigates the micromechanics of bamboo epidermis, focusing on how anisotropic silica particle distributions enhance toughness. By integrating experimental imaging, 3D printing, and generative AI, the study develops bio‐inspired particle‐reinforced composites with mechanical properties akin to bamboo.
Zhao Qin, Aymeric Pierre Destree
wiley   +1 more source

Reaction Mechanism Study of LiNH₂BH₃ and (LiH)_n (n = 1-5) Clusters Based on Density Functional Theory. [PDF]

Molecules
Dong X, Yuan R, Li G, Du A.
europepmc   +1 more source

Advancements in Understanding the Physicochemical Properties of Reticular Materials: An In Situ and Operando Spectroscopic Perspective

Advanced Materials, EarlyView.
This review explores how in situ and operando spectroscopic techniques reveal the real‐time behavior of reticular materials, including MOFs and COFs. These methods track material formation and functionalization, structural changes, defect formation, dynamic responses to external triggers, and catalytic processes.
Bettina Baumgartner, Anna Wach, Xinwei Ye, Evelyn Ploetz, Bert M. Weckhuysen   +4 more
wiley   +1 more source

Mechanism of Ampicillin Hydrolysis by New Delhi Metallo-β-Lactamase 1: Insight From QM/MM MP2 Calculation. [PDF]

J Comput Chem
Lai R, Li H.
europepmc   +1 more source

Tribenzyl Organic Cations Carried Multidentate X‐Type Lewis Soft Base for High‐Performance Foldable Perovskite Light‐Emitting Diodes

Advanced Materials, EarlyView.
This study proposes tribenzyl organic cation carried multidentate X‐type Lewis soft base to enhance adhesion and passivate defects simultaneously, aiming to achieve foldable and efficient perovskite nanocrystal‐based light‐emitting diodes. The resulting pure red F‐PeLEDs exhibit a recorded high EQE of 16.2% and robust mechanical properties to endure ...
Benzheng Lyu, Dongyu Li, Chengxuan Ke, Haoquan Liang, Jiayun Sun, Qi Xiong, John Jinwook Kim, Yanning Zhang, Guangfu Luo, Wallace C. H. Choy   +9 more
wiley   +1 more source

Influence of pyridinic nitrogen on tautomeric shifts and charge transport in single molecule keto enol equilibria. [PDF]

Sci Rep
Berdiyorov GR.
europepmc   +1 more source

The Low Barrier Hydrogen Bond in the Photoactive Yellow Protein: A Vacuum Artifact Absent in the Crystal and Solution

, 2016
Timo Graen, Ludger Inhester, Maike Clemens, Helmut Grubmüller, Gerrit Groenhof   +4 more
openalex   +1 more source

Light‐Emitting Diodes Based on Metal Halide Perovskite and Perovskite Related Nanocrystals

Advanced Materials, EarlyView.
The review covers the past and current developments in light‐emitting diodes (LEDs) exploiting nanocrystals of halide perovskites and perovskite‐related materials. The review examines the aspects of material optimizations, device engineering, and applications.
Ying Liu, Zhuangzhuang Ma, Jibin Zhang, Yanni He, Jinfei Dai, Xinjian Li, Zhifeng Shi, Liberato Manna   +7 more
wiley   +1 more source