|
|
|
|
| LEADER |
01000caa a22002652c 4500 |
| 001 |
NLM377006610 |
| 003 |
DE-627 |
| 005 |
20250306143545.0 |
| 007 |
cr uuu---uuuuu |
| 008 |
240902s2024 xx |||||o 00| ||eng c |
| 024 |
7 |
|
|a 10.1021/acs.langmuir.4c02282
|2 doi
|
| 028 |
5 |
2 |
|a pubmed25n1255.xml
|
| 035 |
|
|
|a (DE-627)NLM377006610
|
| 035 |
|
|
|a (NLM)39213539
|
| 040 |
|
|
|a DE-627
|b ger
|c DE-627
|e rakwb
|
| 041 |
|
|
|a eng
|
| 100 |
1 |
|
|a Yan, Rui-Wen
|e verfasserin
|4 aut
|
| 245 |
1 |
0 |
|a Computational Investigation on Cr-Doped Sc2CO2 MXene under Strain for Electronic Properties, Quantum Capacitance, and Photocatalytic Activity
|
| 264 |
|
1 |
|c 2024
|
| 336 |
|
|
|a Text
|b txt
|2 rdacontent
|
| 337 |
|
|
|a ƒaComputermedien
|b c
|2 rdamedia
|
| 338 |
|
|
|a ƒa Online-Ressource
|b cr
|2 rdacarrier
|
| 500 |
|
|
|a Date Revised 17.09.2024
|
| 500 |
|
|
|a published: Print-Electronic
|
| 500 |
|
|
|a Citation Status PubMed-not-MEDLINE
|
| 520 |
|
|
|a Sc2CO2 MXene has potential applications in energy storage and optoelectronics due to its superior structure and excellent properties. The electronic properties, quantum capacitance, and photocatalytic activity of Cr-doped Sc2CO2 under strain are studied by the density functional theory. Cr doping makes the system produce magnetism. The spin-down states of Sc2CO2-Cr under strain are direct semiconductors, while their spin-up states are indirect semiconductors. Sc2CO2-Cr under +5, -5, -3, and -2% strains in an aqueous system are suitable for cathode material. A large voltage drastically modulates the type of electrode materials. Sc2CO2-Cr under strains from 0 to +2% can perform the oxygen evolution reaction at an alkaline environment, while the Sc2CO2-Cr system under strain is a good for CO2 photocatalysis at pH 0 and 7
|
| 650 |
|
4 |
|a Journal Article
|
| 700 |
1 |
|
|a Li, Xiao-Hong
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Zhang, Rui-Zhou
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Cui, Hong-Ling
|e verfasserin
|4 aut
|
| 773 |
0 |
8 |
|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1985
|g 40(2024), 37 vom: 17. Sept., Seite 19619-19630
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnas
|
| 773 |
1 |
8 |
|g volume:40
|g year:2024
|g number:37
|g day:17
|g month:09
|g pages:19619-19630
|
| 856 |
4 |
0 |
|u http://dx.doi.org/10.1021/acs.langmuir.4c02282
|3 Volltext
|
| 912 |
|
|
|a GBV_USEFLAG_A
|
| 912 |
|
|
|a SYSFLAG_A
|
| 912 |
|
|
|a GBV_NLM
|
| 912 |
|
|
|a GBV_ILN_22
|
| 912 |
|
|
|a GBV_ILN_350
|
| 912 |
|
|
|a GBV_ILN_721
|
| 951 |
|
|
|a AR
|
| 952 |
|
|
|d 40
|j 2024
|e 37
|b 17
|c 09
|h 19619-19630
|