Results 71 to 80 of about 75,200 (296)

Dissociative Ionization and Coulomb Explosion of Molecular Bromocyclopropane in an Intense Femtosecond Laser Field

Molecules, 2018
The dissociative ionization and Coulomb explosion of molecular bromocyclopropane (BCP) has been experimentally investigated by time-of-flight mass spectrum and dc-slice imaging technology.
Botong Liu, Yan Yang, Haitao Sun, Zhenrong Sun   +3 more
doaj   +1 more source

Use of Pd/activated carbon fiber catalyst to dehydrogenate cyclohexane [PDF]

, 2009
In this work, activated carbon fibers (ACFs) were prepared from polyacrylonitrile fibers, Pd catalyst was loaded onto the ACFs. The BET surface areas noted before activation were in the range of 120-140 m2/g.
Serkan, Bas, Serkan, Baş, Yurum, Yuda, Yürüm, Yuda   +3 more
core  

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Dynamics and Thermodynamics of a Novel Phase of NaAlH4

, 2009
We characterize a novel orthorhombic phase (gamma) of NaAlH4, discovered using first-principles molecular dynamics, and discuss its relevance to the dehydrogenation mechanism.
Marzari, Nicola, Wood, Brandon C.
core   +1 more source

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

Advanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan, Tian Zhang, Jiawei Dong, Yubao Xie, Kaifeng Zhong, Wei Guan, Haiqiao Wei, Changcheng Fu, Yaqiong Su   +8 more
wiley   +1 more source

Scanning Tunnelling Microscopy Study of Spin Interactions in Transition‐Metal Phthalocyanine Adsorbates: Mechanisms, Signatures, and Control Strategies

Advanced Science, EarlyView.
Transition‐metal phthalocyanine (TMPc) molecules serve as model systems for probing the spin interactions. This review summarizes recent scanning tunnelling microscopy advances on the spin‐related phenomena in TMPc adsorbates, including Kondo effect, spin excitations, and Yu–Shiba–Rusinov states, emphasizing the mechanisms and control strategies, and ...
Fudi Zhou, Can Zhang, Zhaoteng Dong, Mengya Ren, Lili Zhou, Yu Zhang, Yeliang Wang   +6 more
wiley   +1 more source

4,5-Dimethylbenzene-1,2-dimethanol

Molbank, 2014
An efficient and cost-effective synthesis of 4,5-dimethylbenzene-1,2-dimethanol is reported. The synthesis is accomplished in three steps with an overall yield of 80%.
Krishna Kumar Gnanasekaran, Richard A. Bunce, K. Darrell Berlin   +2 more
doaj   +1 more source

Modulating the Charge Transfer Channels via Constructing Charge‐Assisted Hydrogen‐Bonded Organic Frameworks for Enhanced Photosynthesis of Hydrogen Peroxide

Advanced Science, EarlyView.
This work reports a strategy of engineering charge‐assisted hydrogen bonds to tailor charge transfer channels in HOFs, significantly improving their performance in photocatalytic H2O2 production. ABSTRACT The production of H2O2 via artificial photosynthesis is often limited by inefficient charge‐carrier separation, causing significant charge ...
Yajun Zhao, Xianzhi Lan, Tiantian Chen, Qijie Mo, Chao Peng, Jianbo Jia, Jiewei Liu, Cheng‐Yong Su   +7 more
wiley   +1 more source

The influence of hydrogen treatment and catalyst morphology on the interaction of oxygen with a silver catalyst [PDF]

, 1987
The interaction of an unsupported silver catalyst which had been pretreated by hydrogen at various temperatures with oxygen at 210°C has been studied using Temperature Programmed Reduction (TPR) over a temperature range up to 900°C. Hydrogen treatment at
Lefferts, L., Ommen, J.G. van, Ross, J.R.H.   +2 more
core   +4 more sources

Atomic Interlayer Mo–N4 Sites Enable Rapid Charge Transfer and Efficient CO2 Photoreduction

Advanced Science, EarlyView.
This work achieved efficient CO2 activation and ultrafast interlayer electron transport in a 2D COF by constructing atomic‐level Mo‐N4‐induced interlayer electron bridges (IEB), thereby kinetically and thermodynamically co‐driving the photocatalytic coupling of CO2 reduction with 4‐methoxybenzyl alcohol oxidation.
Lijuan Sun, Haiwei Su, Zhen Chen, William Orbell, Guijie Liang, Weikang Wang, Lele Wang, Juan Yang, Qinqin Liu, Junhua Li   +9 more
wiley   +1 more source