Zobrazeno 1 - 10
of 41
pro vyhledávání: '"Jing-hua Guo"'
Publikováno v:
Physical Chemistry Chemical Physics. 25:13683-13689
The catalytic mechanism of the oxygen reduction reaction and the effect of spatial confinement and ligands on MOF-derived materials are studied using DFT calculations.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3c5782258f839e444942351b03aa3bd9
https://doi.org/10.1039/d2cp06057d
https://doi.org/10.1039/d2cp06057d
Publikováno v:
International Journal of Hydrogen Energy. 45:25900-25911
Hydrogen storage by spillover in porous carbon material (PCM) has achieved great success in experiments. During the past 20 years, a large number of theoretical works have been performed to explore the hydrogen spillover mechanism, look for high-perf
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::944787d9252a4ca70f9ba4f81c62fe69
https://doi.org/10.1016/j.ijhydene.2019.12.146
https://doi.org/10.1016/j.ijhydene.2019.12.146
Publikováno v:
The Journal of Physical Chemistry C. 124:10823-10831
Nanodevices based on two-dimensional materials hold great promise for DNA sequencing. Owing to some unique properties, silicene has become a potential alternative to the well-known graphene as a se...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::afc1e6824a5ef74fc08b499bb39cb8b8
https://doi.org/10.1021/acs.jpcc.0c01734
https://doi.org/10.1021/acs.jpcc.0c01734
Publikováno v:
The Journal of Physical Chemistry C. 123:15935-15943
How to reduce the H migration barrier in hydrogen spillover is one of the crucial points for hydrogen storage. In this study, we use COF-8 as a representative to study the effect of F decoration fo...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c57591286c27eaacdd3ee43bf680bef9
https://doi.org/10.1021/acs.jpcc.9b02917
https://doi.org/10.1021/acs.jpcc.9b02917
Publikováno v:
International Journal of Hydrogen Energy. 44:8357-8364
With the aid of computer simulation, we have designed four covalent-organic frameworks based on tetrakis(4-aminophenyl)silsesquioxane (taps-COFs) and their hydrogen storage properties were predicted with grand canonical Monte Carlo (GCMC) simulation.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e0d2ae4251c006e58d936f33ec13223
https://doi.org/10.1016/j.ijhydene.2019.02.021
https://doi.org/10.1016/j.ijhydene.2019.02.021
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(3)
In this work, combining first-principles calculations with kinetic Monte Carlo (KMC) simulations, we constructed an irregular carbon bridge on the graphene surface and explored the process of H migration from the Pt catalyst to carbon bridge, and fur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::554762df37035f478ddbcd4c3c738c1e
https://pubmed.ncbi.nlm.nih.gov/33458726
https://pubmed.ncbi.nlm.nih.gov/33458726
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(48)
Using density functional theory, we have performed detailed calculations of the joint catalytic activity of graphene co-doped with Fe and N atoms. The Fe atom can be located on single vacancy graphene and acts as the active site. Due to the strong at
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::004117cef5bb99ec2b4bcaa8f4905ed0
https://pubmed.ncbi.nlm.nih.gov/33300905
https://pubmed.ncbi.nlm.nih.gov/33300905
Publikováno v:
Frontiers in Pharmacology
Frontiers in Pharmacology, Vol 12 (2021)
Frontiers in Pharmacology, Vol 12 (2021)
In previous study, we reported that kaempferol ameliorates significantly lung ischemia-reperfusion injury (LIRI), and may be achieved by targeting the SIRT 1 pathway. This study further explored the anti-LIRI mechanism of kaempferol. In vitro, the ra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b858ec472e630d927285de542781618
https://pubmed.ncbi.nlm.nih.gov/33746757
https://pubmed.ncbi.nlm.nih.gov/33746757