Matches in SemOpenAlex for { <https://semopenalex.org/work/W4362520685> ?p ?o ?g. }
- W4362520685 abstract "Transition metal dichalcogenides (TMDs) are a class of 2D materials demonstrating promising properties, such as high capacities and cycling stabilities, making them strong candidates to replace graphitic anodes in lithium-ion batteries. However, certain TMDs, for instance, MoS2, undergo a phase transformation from 2H to 1T during intercalation that can affect the mobility of the intercalating ions, the anode voltage, and the reversible capacity. In contrast, select TMDs, for instance, NbS2 and VS2, resist this type of phase transformation during Li-ion intercalation. This manuscript uses density functional theory simulations to investigate the phase transformation of TMD heterostructures during Li-, Na-, and K-ion intercalation. The simulations suggest that while stacking MoS2 layers with NbS2 layers is unable to limit this 2H → 1T transformation in MoS2 during Li-ion intercalation, the interfaces effectively stabilize the 2H phase of MoS2 during Na- and K-ion intercalation. However, stacking MoS2 layers with VS2 is able to suppress the 2H → 1T transformation of MoS2 during the intercalation of Li, Na, and K-ions. The creation of TMD heterostructures by stacking MoS2 with layers of non-transforming TMDs also renders theoretical capacities and electrical conductivities that are higher than that of bulk MoS2." @default.
- W4362520685 created "2023-04-06" @default.
- W4362520685 creator A5017203846 @default.
- W4362520685 creator A5025276463 @default.
- W4362520685 creator A5050672784 @default.
- W4362520685 creator A5073190760 @default.
- W4362520685 date "2023-04-03" @default.
- W4362520685 modified "2023-09-25" @default.
- W4362520685 title "Phase engineering of layered anode materials during ion-intercalation in Van der Waal heterostructures" @default.
- W4362520685 cites W1970127494 @default.
- W4362520685 cites W1981368803 @default.
- W4362520685 cites W1994082859 @default.
- W4362520685 cites W1995352623 @default.
- W4362520685 cites W1995943544 @default.
- W4362520685 cites W2003835747 @default.
- W4362520685 cites W2006306639 @default.
- W4362520685 cites W2014075107 @default.
- W4362520685 cites W2050612609 @default.
- W4362520685 cites W2052434745 @default.
- W4362520685 cites W2062236860 @default.
- W4362520685 cites W2066305393 @default.
- W4362520685 cites W2079105963 @default.
- W4362520685 cites W2081196870 @default.
- W4362520685 cites W2096421416 @default.
- W4362520685 cites W2096747776 @default.
- W4362520685 cites W2102220765 @default.
- W4362520685 cites W2125467115 @default.
- W4362520685 cites W2127895128 @default.
- W4362520685 cites W2142236246 @default.
- W4362520685 cites W2165902256 @default.
- W4362520685 cites W2237668177 @default.
- W4362520685 cites W2252784281 @default.
- W4362520685 cites W2282520207 @default.
- W4362520685 cites W2297490080 @default.
- W4362520685 cites W2318914136 @default.
- W4362520685 cites W2335008892 @default.
- W4362520685 cites W2366955360 @default.
- W4362520685 cites W2369025627 @default.
- W4362520685 cites W2498106012 @default.
- W4362520685 cites W2618307332 @default.
- W4362520685 cites W2620704051 @default.
- W4362520685 cites W2620897230 @default.
- W4362520685 cites W2742635107 @default.
- W4362520685 cites W2754228380 @default.
- W4362520685 cites W2905246444 @default.
- W4362520685 cites W2905305393 @default.
- W4362520685 cites W2907807628 @default.
- W4362520685 cites W2922053197 @default.
- W4362520685 cites W2995583187 @default.
- W4362520685 cites W3008173492 @default.
- W4362520685 cites W3011934966 @default.
- W4362520685 cites W3018181895 @default.
- W4362520685 cites W3021373057 @default.
- W4362520685 cites W3021466109 @default.
- W4362520685 cites W3023244905 @default.
- W4362520685 cites W3043274945 @default.
- W4362520685 cites W3043773840 @default.
- W4362520685 cites W3090093576 @default.
- W4362520685 cites W3090370149 @default.
- W4362520685 cites W3093124001 @default.
- W4362520685 cites W3095784461 @default.
- W4362520685 cites W3106042047 @default.
- W4362520685 cites W3118510401 @default.
- W4362520685 cites W3124686282 @default.
- W4362520685 cites W3133690271 @default.
- W4362520685 cites W3134954789 @default.
- W4362520685 cites W3157176586 @default.
- W4362520685 cites W3158023470 @default.
- W4362520685 cites W3171271992 @default.
- W4362520685 cites W3180077135 @default.
- W4362520685 cites W3205988377 @default.
- W4362520685 cites W3206380101 @default.
- W4362520685 doi "https://doi.org/10.1038/s41598-023-31342-z" @default.
- W4362520685 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37012258" @default.
- W4362520685 hasPublicationYear "2023" @default.
- W4362520685 type Work @default.
- W4362520685 citedByCount "0" @default.
- W4362520685 crossrefType "journal-article" @default.
- W4362520685 hasAuthorship W4362520685A5017203846 @default.
- W4362520685 hasAuthorship W4362520685A5025276463 @default.
- W4362520685 hasAuthorship W4362520685A5050672784 @default.
- W4362520685 hasAuthorship W4362520685A5073190760 @default.
- W4362520685 hasBestOaLocation W43625206851 @default.
- W4362520685 hasConcept C134018914 @default.
- W4362520685 hasConcept C137824038 @default.
- W4362520685 hasConcept C145148216 @default.
- W4362520685 hasConcept C147597530 @default.
- W4362520685 hasConcept C147789679 @default.
- W4362520685 hasConcept C152365726 @default.
- W4362520685 hasConcept C159467904 @default.
- W4362520685 hasConcept C171250308 @default.
- W4362520685 hasConcept C17525397 @default.
- W4362520685 hasConcept C178790620 @default.
- W4362520685 hasConcept C179104552 @default.
- W4362520685 hasConcept C185592680 @default.
- W4362520685 hasConcept C192562407 @default.
- W4362520685 hasConcept C2778541603 @default.
- W4362520685 hasConcept C30080830 @default.
- W4362520685 hasConcept C33347731 @default.
- W4362520685 hasConcept C44280652 @default.