Single level tunneling model has been {the most|probably the most|essentially the most|one of the most|by far the most} {popular|well-liked|well-known|common|well known|preferred} model {system|method|program|technique} in {both|each} the experimental and theoretical study of molecular junctions.We performed a detailed simulation study {on the|around the} {performance|overall performance|efficiency|functionality} {of the|from the|in the|on the|with the|of your} single level tunneling model in analyzing the charge transport mechanism of molecular junctions. {Three|3} {different|various|distinct|diverse|unique|distinctive} modeling {methods|techniques|strategies|approaches|procedures|solutions}, {including|such as|which includes|like} the numerical integration {of the|from the|in the|on the|with the|of your} Landauer formula and two approximated analytical formulas {that are|which are|which can be|which might be|that happen to be} extensively {used|utilized|employed|utilised|applied|made use of} for extracting {key|important|crucial|essential} transport parameters from current–voltage (I-V) {characteristics|traits|qualities}, i.e. the {energy|power} offset {and the|and also the|as well as the|along with the|plus the} coupling {between|in between|among|amongst|involving} molecule and electrode, {were|had been|have been} compared and evaluated for their applicability. The simulation of I-V plots shows that the applicability {of the|from the|in the|on the|with the|of your} two approximated analytical models is {energy|power} offset and coupling strength dependent. Model fitting {based on|according to|depending on|determined by} the {three|3} {methods|techniques|strategies|approaches|procedures|solutions} performed on experimental {data|information} attained from representative literature papers revealed that the two approximated analytical {methods|techniques|strategies|approaches|procedures|solutions} are neither {suitable|appropriate} for the {situation|scenario|circumstance|predicament} of {small|little|tiny|modest|smaller|compact} coupling strength and low {energy|power} offset, and {they also|additionally they|in addition they} deviated {from the|in the} {exact|precise} {results|outcomes|final results|benefits} at {high|higher} bias. We {finally|lastly|ultimately} {provided|supplied|offered} a phase map {of the|from the|in the|on the|with the|of your} applicability of {different|various|distinct|diverse|unique|distinctive} modeling {methods|techniques|strategies|approaches|procedures|solutions} as a guide for their {proper|correct|appropriate|suitable|right} usage in charge transport study in molecular devices. 1186127-11-6 structure 957135-12-5 Order PMID:28322188
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