Adsorption and diffusion of potassium on layered SnO: a DFT analysis

Highly Conductive and Stable Two-Dimensional WC4 Acting as an Efficient Anode Material for Alkali-Metal Ion Batteries: Insight from DFT

“…The negative charges in these reactions move toward the external circuit, whereas the positive charges migrate between the electrodes and electrolytes of the battery. The OCV for the concentration range of x 1 < x < x 2 of Li was determined using the provided formula , OCV ( x 1 , x 2 ) = [ E Li x 1 WC 4 − E Li x 2 WC 4 + false( x 2 − x 1 false) E Li ] / ( x 2 − x 1 ) normale where E Li x 1WC4 and E Li x 2WC4 are the energies of Li content adsorbed on WC 4 at x 1 and x 2 , respectively. In the given equation, E Li is the energy of bulk Li, and x 1 and x 2 are the low and high Li content adsorbed on WC 4 .…”

Two-Dimensional SnS and SnSe as Hosts of K-Ion Storage: A First-Principles Prediction

“…The charge–discharge process of the anode material is expressed as SnS/Se + x K + + x e – ⇄ K x SnSe/SnSe. Moreover, the OCV is estimated by the following given equation , normalO normalC normalV ( x 1 , x 2 ) = [ E K x 1 normalS normaln normalS / normalS normale − E K x 2 normalS normaln normalS / normalS normale + false( x 2 − x 1 false) E normalK ] / ( x 2 − x 1 ) normale …”

“…The charge–discharge process of the anode material is expressed as SnS/Se + x K + + x e – ⇄ K x SnSe/SnSe. Moreover, the OCV is estimated by the following given equation , …”

“…In addition, potassium ion batteries (KIBs) have the same operating mechanism as LIBs. But certain prominent advantages of KIBs include the abundance of potassium (∼2.09% of the earth’s crust by weight), low cost, and even geographical distribution. , Although the abundance of sodium and potassium is nearly similar, the mobility of K ions in liquid electrolytes is greater than that of Na-ions. Also, potassium-ions have a low standard redox potential (−2.94 V vs standard hydrogen electrode) that is close to the Li-ions’ potential (−3.04 V) than Na-ions (−2.71 V). – These attractive features make the KIBs the best candidate for emerging storage devices.…”

Exploring the anodic performance of ScSeS and TiSeS monolayers of modified transition metal dichalcogenides for Mg ion batteries via DFT calculations

“…These results are parallel with the previous research. 39,40 For this reason, we can predict that our nanosheets can be very productive as an anode material for Mg ion batteries.…”