Yang Wu
7 Papers
Yang Wu is an academic researcher. The author has contributed to research in topics: Catalysis & Chemistry. The author has an hindex of 1, co-authored 3 publications.
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Papers
First-principles study of quantum capacitance of transition metal oxides and nitrogen functionalized graphene as electrode materials for supercapacitor
Xueyan Wang,Chen-yuan Li,Xinfang Wang,Xue Liu,Bingwen Li,Yang Wu +5 more
- 01 Aug 2023
TL;DR: This study uses first-principles calculations to investigate the effects of transition metal oxides and nitrogen functionalization on graphene's quantum capacitance, revealing enhanced capacitance and electron transfer in modified graphene systems, particularly NiO-G and N-modified graphene.
6
Modulus Back-Calculation of Four-Layer System Based on the Characteristic Parameters of Deflection Basin
TL;DR: In this article , a back-calculation method of the four-layer structure, which is based on the linear elastic layered mechanical system, through analyzing the empirical relationship between the geometric characteristics of the measured deflection basin and the corresponding moduli of the structural layers was proposed.
4
Computational Insights into SN2 and Proton Transfer Reactions of CH3O- with NH2Y and CH3Y.
Huining Feng,Rui Li,Yang Wu,Xu Liu +3 more
TL;DR: This study computationally investigates SN2 and proton transfer reactions of CH3O- with NH2Y and CH3Y, comparing MP2, DFT, and CCSD(T) methods, and explores the effects of leaving groups, reaction centers, and solvents on reaction pathways and mechanisms.
3
Mechanistic Insights into the Proton Transfer and Substitution Dynamics of N-Atom Center Reactions: A Study of CH3O- with NH2Cl.
Xu Liu,Huining Feng,Rui Li,Qiuju Zhang,Yang Wu,Boxue Pang +5 more
TL;DR: N-atom center reactions involving CH3O- exhibit a dominant proton transfer pathway over the SN2 pathway, which is attributed to the exothermic nature of the PT pathway and the bulky nature of the CH3O- group.
1
Microstructures of Hydrophobic Ionic Liquids via Tuning Water Networks: Theoretical and Experimental Investigations
TL;DR: In this article , the authors explored the effects of water on the structure of a hydrophobic ionic liquid mixture, and proposed the formation of nanodomains as the composition approached phase separation points through the combination of experiments, molecular dynamics, and statistical analyses.