Magnesium and calcium ion batteries based on the hexa-peri-hexabenzocoronene nanographene anode materials

Theoretical investigation of a tetrazine based covalent organic framework as a promising anode material for sodium/calcium ion batteries

“…Our computed theoretical specific capacity (TSC) for sodium on the bilayer TZACOF is comparable to or larger than that of many previously reported anode materials, such as Ti 3 C 4 (560 mA h g À1 ), 77 2D GaN (625 mA h g À1 ), 73 V 3 C 2 (606.42 mA h g À1 ), 88 2D Y 2 C (564 mA h g À1 ), 89 boron nitride/blue phosphorene (445 mA h g À1 ), 4 Sr 2 N (283 mA h g À1 ), 90 and MoS 2 /Ti 2 CF 2 (438 mA h g À1 ). 75 For calcium, the calculated theoretical specific capacity is comparable to that of hexa-peri-hexabenzocoronene nanographene (486.8 mA h g À1 ), 52 Ti 3 C 2 (319.8 mA h g À1 ), 91 Sn (85 mA h g À1 ), 92 and MnFe(CN) 6 (80 mA h g À1 ). 93 Therefore, on the basis of excellent electrical conductivity, moderate diffusion barrier, low average voltage, and high storage capacity we can say that the bilayer TZACOF may be a potential candidate as an anode material for SIBs and CIBs.…”

“…86 For calcium, the average voltage is calculated to be 1.13 V. It shows one effective plateau, which corresponds to only the first layer of adsorption because the second layer of adsorption leads to cluster formation. The average voltage (1.13 V) in the case of calcium is among those of typical anode materials, such as phosphorene (0.51-1.65 V), 87 hexa-peri-hexabenzocoronene nanographene (2.45 V), 52 and monolayer WS 2 (1.26 V). 53 Thus, the bilayer TZACOF is suitable to be applied as an anode for SIBs and CIBs.…”

“…Recently, several studies have demonstrated that layered MoS 2 , 49 SnP 3 , 50 and GeP 3 51 exhibit high performance as anode materials for SIBs. On the other hand, hexa- peri -hexabenzocoronene nanographene 52 and WS 2 53 are reported previously as high performance anode materials for CIBs. But the anode materials based on COFs for SIBs and CIBs are rare and there is much free space for the development of anode materials based on COFs for SIBs/CIBs.…”

Phase engineering of layered anode materials during ion-intercalation in Van der Waal heterostructures

“…Thus, current efforts seek to identify intercalating species that could substitute Li in the next generation batteries as well as discover/design anode materials beyond graphite. Potential candidates for intercalating species include other monovalent metals, such as Na 8,9 and K 10,11 , and multivalent metals, such as Mg [12][13][14][15] , Ca 12,15,16 , and Al 12,15,17 . Similarly, potential candidates for anodes are transition metal dichalcogenides (TMDs) owing to their high capacities and large interlayer spacings for facile movement of intercalating ions [18][19][20] .…”

Experimental investigation on the application of carbon dioxide adsorption for a shale reservoir

“…[68][69][70][71][72][73][74][75][76][77][78][79][80] Therefore, these reservoirs would be necessary for petroleum industries to be used as fundamental crude oil production. [80][81][82][83][84][85][86][87][88][89][90] Carbon dioxide (CO 2 ) injection is a well-known EOR method regarding its feasible application rather than other conventional methods. [91][92][93][94][95] Its application in shale reservoirs is of importance in recent decades.…”