Results 71 to 80 of about 131,872 (335)

Gamma-ray spectra of hexane in gas phase and liquid phase [PDF]

arXiv, 2012
Theoretical gamma-ray spectra of molecule hexane have been calculated and compared with the experimental results in both gas (Surko et al, 1997) and liquid (Kerr et al, 1965) phases. The present study reveals that in gas phase not all valence electrons of hexane exhibit the same probability to annihilate a positron.
arxiv  

Perovskite Light‐Emitting Diodes with Quantum Wires and Nanorods

Advanced Materials, EarlyView.
This review focuses on low‐dimensional perovskite materials and discusses their applications in light‐emitting diodes (LEDs). Special attention is given to the introduction of perovskite quantum wires and nanorods, two unique types of one‐dimensional (1D) materials, and their interesting optoelectronic properties.
Qianpeng Zhang, Daquan Zhang, Zebing Liao, Yang Bryan Cao, Mallem Kumar, Swapnadeep Poddar, Junchao Han, Ying Hu, Hualiang Lv, Xiaoliang Mo, Abhishek Kumar Srivastava, Zhiyong Fan   +11 more
wiley   +1 more source

Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications

Advanced Materials, EarlyView.
This review highlights the significance of molecular simulations in expanding the understanding of metal–organic frameworks (MOFs) and improving their gas adsorption applications. The historical development and implementation of molecular simulations in the MOF field are given, high‐throughput computational screening studies used to unlock the ...
Hilal Daglar, Hasan Can Gulbalkan, Gokhan Onder Aksu, Seda Keskin   +3 more
wiley   +1 more source

Developing Cathode Films for Practical All‐Solid‐State Lithium‐Sulfur Batteries

Advanced Materials, EarlyView.
The development of all‐solid‐state lithium‐sulfur batteries offers higher specific energies and lower costs compared to state‐of‐the‐art Li‐ion batteries. However, a lack of mechanistic understanding hinders advancement. This review analyzes key electrode parameters, evaluates progress in enhancing ion/electron percolation, and addresses ...
Chao Ye, Shijie Xu, Huan Li, Jieqiong Shan, Shi‐Zhang Qiao   +4 more
wiley   +1 more source

The Deepest Blue: Major Advances and Challenges in Deep Blue Emitting Quasi‐2D and Nanocrystalline Perovskite LEDs

Advanced Materials, EarlyView.
In this review, the recent development of deep‐blue (≤465 nm) perovskite light‐emitting diodes (PeLEDs) are summarized, using different perovskite nanomaterials, including nanocrystals (NCs), quantum dots (QDs), nanoplatelets (NPLs), quasi‐2D thin film, 3D bulk thin film, as well as lead‐free perovskite nanomaterials.
Pui Kei Ko, Jianchao Ge, Pengbo Ding, Dezhang Chen, Hoi Lam Tammy Tsang, Nitish Kumar, Jonathan E. Halpert   +6 more
wiley   +1 more source

Emerging Opportunities of Colloidal Quantum Dots for Photocatalytic Organic Transformations

Advanced Materials, EarlyView.
Colloidal quantum dots (QDs) have gained significant attention as photocatalysts in organic transformations in recent years. This review highlights QDs’ distinctive features, including the quantum size effect, compositional and structural diversity, tunable surface chemistry, and photophysics.
Qinxuan Cao, Jianning Feng, Kin Ting Chang, Wenfei Liang, Haipeng Lu   +4 more
wiley   +1 more source

Modeling the result of hexane leakage from storage tanks and planning a emergency response programm in a petrochemical complex

Salāmat-i kār-i Īrān, 2016
Background and aims: Leakage of toxic and hazardous substances in the chemical and process industries always had been one of the factors threatening the workers and residents of the industries.
MH Beheshti, R Hajizadeh, Ahmad Mehri, M Borhani Jebeli   +3 more
doaj  

A New Approach For Learning Coarse-Grained Potentials with Application to Immiscible Fluids [PDF]

arXiv, 2019
Even though atomistic and coarse-grained (CG) models have been used to simulate liquid nanodroplets in vapor, very few rigorous studies of the liquid-liquid interface structure are available, and most of them are limited to planar interfaces. In this work, we evaluate several existing force fields (FF)s, including two atomistic and three CG FFs, with ...
arxiv  

Covalent Organic Frameworks for Photocatalysis

Advanced Materials, EarlyView.
This review provides an overview of recent advances in covalent organic frameworks (COFs) for photocatalysis, focusing on sustainable energy applications like water splitting, hydrogen peroxide generation, and CO2 and N2 reduction. It discusses design principles, structure‐function relationships, challenges in COF photocatalysis, and strategies to ...
Bikash Mishra, Akhtar Alam, Avanti Chakraborty, Bidhan Kumbhakar, Samrat Ghosh, Pradip Pachfule, Arne Thomas   +6 more
wiley   +1 more source