PMID- 26291225
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20150922
LR  - 20150821
IS  - 1948-7185 (Print)
IS  - 1948-7185 (Linking)
VI  - 4
IP  - 1
DP  - 2013 Jan 3
TI  - On the Atomistic Nature of Capacitance Enhancement Generated by Ionic Liquid 
      Electrolyte Confined in Subnanometer Pores.
PG  - 132-40
LID - 10.1021/jz301782f [doi]
AB  - The capacitance enhancement experimentally observed in electrodes with complex 
      morphology of random subnanometer wide pores is an intriguing phenomena, yet the 
      mechanisms for such enhancement are not completely understood. Our atomistic 
      molecular dynamics simulations demonstrate that in subnanometer slit-geometry 
      nanopores, a factor of 2 capacitance enhancement (compared to a flat electrode) 
      is possible for the 1-ethyl-3-methylimidazolium 
      (EMIM)-bis(trifluoro-methylsulfonyl)imide (TFSI) ionic liquid electrolyte. This 
      capacitance enhancement is a result of a fast charge separation inside the 
      nanopore due to abrupt expulsion of co-ions from the pore while maintaining an 
      elevated counterion density due to strong screening of electrostatic repulsive 
      interactions by the conductive pore. Importantly, we find that the capacitance 
      enhancement can be very asymmetric. For the negatively charged 7.5 A wide pore, 
      the integral capacitance is 100% larger than on a flat surface; however, on the 
      positive electrode, almost no enhancement is observed. Detailed analysis of 
      structure and composition of electrolyte inside nanopores shows that the 
      capacitance enhancement and the shape of differential capacitance strongly depend 
      on the details of the ion chemical structure and a delicate balance of 
      ion-surface and ion-ion interactions.
FAU - Xing, Lidan
AU  - Xing L
AD  - daggerDepartment of Materials Science and Engineering, University of Utah, 122 South 
      Central Campus Drive, Salt Lake City, Utah 84112, United States.
AD  - double daggerSchool of Chemistry and Environment, South China Normal University, Guangzhou 
      510006, China.
FAU - Vatamanu, Jenel
AU  - Vatamanu J
AD  - daggerDepartment of Materials Science and Engineering, University of Utah, 122 South 
      Central Campus Drive, Salt Lake City, Utah 84112, United States.
FAU - Borodin, Oleg
AU  - Borodin O
AD  -  section signElectrochemistry Branch, U.S. Army Research Laboratory, 2800 Powder Mill Road, 
      Adelphi, Maryland 20783, United States.
FAU - Bedrov, Dmitry
AU  - Bedrov D
AD  - daggerDepartment of Materials Science and Engineering, University of Utah, 122 South 
      Central Campus Drive, Salt Lake City, Utah 84112, United States.
LA  - eng
PT  - Journal Article
DEP - 20121219
PL  - United States
TA  - J Phys Chem Lett
JT  - The journal of physical chemistry letters
JID - 101526034
OTO - NOTNLM
OT  - differential capacitance
OT  - electric double layer
OT  - electrostatic superscreening
OT  - molecular dynamics simulation
OT  - nanoporous electrode
OT  - room temperature ionic liquid
OT  - supercacitor
EDAT- 2013/01/03 00:00
MHDA- 2013/01/03 00:01
CRDT- 2015/08/21 06:00
PHST- 2015/08/21 06:00 [entrez]
PHST- 2013/01/03 00:00 [pubmed]
PHST- 2013/01/03 00:01 [medline]
AID - 10.1021/jz301782f [doi]
PST - ppublish
SO  - J Phys Chem Lett. 2013 Jan 3;4(1):132-40. doi: 10.1021/jz301782f. Epub 2012 Dec 
      19.