Results 81 to 90 of about 804,715 (287)

Structural and Electronic Properties of Graphdiyne Carbon Nanotubes from Large-Scale DFT Calculations [PDF]

Journal of Physical Chemistry C, 120, 18871 (2016), 2018
Using large-scale DFT calculations, we have investigated the structural and electronic properties of both armchair and zigzag graphdiyne nanotubes as a function of size. To provide insight in these properties, we present new detailed calculations of the structural relaxation energy, effective electron/hole mass, and size-scaling of the bandgap as a ...
arxiv   +1 more source

Heat Conduction Modulation in Incommensurate Twisted Stacking of Transition‐Metal Dichalcogenide

Advanced Functional Materials, EarlyView.
The interlayer thermal conductance in twisted bilayer TMDs is initially investigated experimentally by the thermoreflectance method. The overlap of lattice vibrations within individual layers and the interlayer interactions, as elucidated through both Raman spectroscopy and molecular dynamics simulations, are demonstrated to be critical factors in ...
Bin Xu, Meng An, Satoru Masubuchi, Yuanzhe Li, Rulei Guo, Tomoki Machida, Junichiro Shiomi   +6 more
wiley   +1 more source

Fluorine‐Directed Automated Mannoside Assembly

Angewandte Chemie International Edition, Volume 62, Issue 3, January 16, 2023., 2023
Motivated by the importance of fluorination in drug discovery, fluorine‐directed automated glycan assembly (AFGA) is disclosed. This strategy leverages the C(sp3)−F bond at C2 to enable α‐stereocontrolled glycosylation that eliminates the reliance on O‐based directing groups.
Charlotte S. Teschers, Ryan Gilmour
wiley   +1 more source

Functional differences of iodinated obestatin peptides: in vitro metabolic stability profile [PDF]

, 2010
Peptides are small polymers of 50 amino acids, situated between organic molecules and proteins. Most peptides perform a biochemical-physical function and are therefore considered as potential drugs.
De Spiegeleer, Bart, Van Dorpe, Sylvia, Wallez, Ingeborg   +2 more
core   +1 more source

Pushing Radiative Cooling Technology to Real Applications

Advanced Materials, EarlyView.
Radiative cooling controls surface optical properties for solar and thermal radiation, offering solutions for global warming and energy savings. Despite significant advances, key challenges remain: optimizing optical efficiency, maintaining aesthetics, preventing overcooling, enhancing durability, and enabling scalable production.
Chongjia Lin, Keqiao Li, Meng Li, Benjamin Dopphoopha, Jiongzhi Zheng, Jiazheng Wang, Shanshan Du, Yang Li, Baoling Huang   +8 more
wiley   +1 more source

Reduction of Na+ within a {Mg2Na2} Assembly

Angewandte Chemie International Edition, Volume 62, Issue 3, January 16, 2023., 2023
Treatment of a low oxidation state {Mg2Na2} assembly with basic molecules that are less prone to reduction than the sodium cation itself induces the complete extrusion of the elemental alkali metal. Abstract Ionic compounds containing sodium cations are notable for their stability and resistance to redox reactivity unless highly reducing electrical ...
Han‐Ying Liu, Samuel E. Neale, Michael S. Hill, Mary F. Mahon, Claire L. McMullin, Emma Richards   +5 more
wiley   +1 more source

High‐Yield, Cost‐Effective Fabrication of High‐Aspect‐Ratio Polyimide Microstructures for Robust Superhydrophobic Surfaces

Advanced Materials Interfaces, EarlyView.
This study presents robust polyimide superhydrophobic surfaces with excellent mechanical durability, thermal stability, and chemical stability. A high‐yield and cost‐effective method to fabricate high‐aspect‐ratio polyimide surface microstructures is developed by controlling the template surface treatment, precursor molecular weight, and vacuum process
Jinpyeo Jeung, Inyeol Yun, Hyuk Park, Yoonyoung Chung   +3 more
wiley   +1 more source

Nanoporous Films with Oriented Arrays of Molecular Motors for Photoswitching the Guest Adsorption and Diffusion

Angewandte Chemie International Edition, Volume 62, Issue 3, January 16, 2023., 2023
A regular array of oriented molecular motors is presented by incorporating overcrowded alkene molecules as linker in metal–organic framework thin films. By switching between the stable and metastable states, the adsorption and diffusion properties of the guest molecules are controlled. Abstract Molecular motors are fascinating nanomachines.
Yunzhe Jiang, Wojciech Danowski, Ben L. Feringa, Lars Heinke   +3 more
wiley   +1 more source

Effect Of Operating Conditions On Scrap Tire Pyrolysis [PDF]

, 2015
The ever growing focus on environmental issues has raised concerns about scrap tires, whose major component - vulcanized rubber - does not degrade easily.
dos Reis Coutinho A., Lisboa A.C.L., Mendez M.O.A., Rombaldo C.F.S.   +3 more
core  

Inverse Quantum Chemistry: Concepts and Strategies for Rational Compound Design [PDF]

International Journal of Quantum Chemistry, Volume 114, Issue 13, pages 823-837, 5 July 2014, 2014
The rational design of molecules and materials is becoming more and more important. With the advent of powerful computer systems and sophisticated algorithms, quantum chemistry plays an important role in rational design. While traditional quantum chemical approaches predict the properties of a predefined molecular structure, the goal of inverse quantum
arxiv   +1 more source