@article{ISI:000447239100031,
 abstract = {The ubiquitous nature of water invariably leads to a variety of physical
scenarios that can result in many intriguing properties. We investigate
the thermodynamics and associated phase transitions for a water
monolayer confined within a quasi-two-dimensional nanopore. An
asymmetric nanopore constructed by combining a hydrophilic (hexagonal
boron nitride) sheet and a hydrophobic (graphene) sheet leads to an
ordered water structure at much higher temperatures compared to a
symmetric hydrophobic nano pore consisting of two graphene sheets. The
discontinuous change in the thermodynamic quantities, potential energy
(U), and entropy (S) of confined water molecules computed from the
all-atom molecular dynamics simulation trajectories, uncovers a
first-order phase transition in the temperature range of T = 320-330 K.
Structural analysis reveals that water molecules undergo a
disorder-to-order phase transformation in this temperature range with a
4-fold symmetric phase persisting at lower temperatures. Our findings
predict a novel confinement system which has the melting transition for
monolayer water above the room temperature, and provide a microscopic
understanding which will have important implications for other
nanofludic systems as well.},
 author = {Kumar, Hemant and Dasgupta, Chandan and Maiti, Prabal K.},
 doi = {10.1021/acs.langmuir.8b02147},
 issn = {0743-7463},
 journal = {LANGMUIR},
 month = {OCT 9},
 number = {40},
 orcid-numbers = {Kumar, Arun/0000-0001-8422-0219
Maiti, Prabal K/0000-0002-9956-1136
Kumar, Hemant/0000-0003-4339-5711},
 pages = {12199-12205},
 researcherid-numbers = {Dasgupta, Chandan/R-4852-2019
Kumar, Arun/C-9149-2009
},
 times-cited = {7},
 title = {Phase Transition in Monolayer Water Confined in Janus Nanopore},
 unique-id = {ISI:000447239100031},
 volume = {34},
 year = {2018}
}