Phase transitions of ordered ice in graphene nanocapillaries and carbon nanotubes

Scientific Reports
Muralikrishna RajuMatthias Ihme

Abstract

New phase diagrams for water confined in graphene nanocapillaries and single-walled carbon nanotubes (CNTs) are proposed, identifying ice structures, their melting points and revealing the presence of a solid-liquid critical point. For quasi-2D water in nanocapillaries, we show through molecular-dynamics simulations that AA stacking in multilayer quasi-2D ice arises from interlayer hydrogen-bonding and is stable up to three layers, thereby explaining recent experimental observations. Detailed structural and energetic analyses show that quasi-2D water can freeze discontinuously through a first-order phase transition or continuously with a critical point. The first-order transition line extends to a continuous transition line, defined by a sharp transition in diffusivity between solid-like and liquid-like regimes. For quasi-1D water, confined in CNTs, we observe the existence of a similar critical point at intermediate densities. In addition, an end point is identified on the continuous-transition line, above which the solid and liquid phases deform continuously. The solid-liquid phase transition temperatures in CNTs are shown to be substantially higher than 273 K, confirming recent Raman spectroscopy measurements. We observe ult...Continue Reading

References

Jan 18, 1996·Nature·J Israelachvili, H Wennerström
Oct 6, 2001·Science·G E Brown
Aug 23, 2002·Physical Review Letters·Ravi RadhakrishnanMalgorzata Sliwinska-Bartkowiak
Jan 18, 2003·Science·Shankar GhoshN Kumar
Jul 25, 2003·Proceedings of the National Academy of Sciences of the United States of America·Amrit KalraGerhard Hummer
Aug 9, 2003·Physical Review Letters·Ronen Zangi, Alan E Mark
Aug 25, 2004·Physical Review Letters·Alexander I KolesnikovChristian J Burnham
Oct 30, 2004·Science·Jared D SmithRichard J Saykally
May 20, 2006·Science·Jason K HoltOlgica Bakajin
Sep 14, 2006·Journal of the American Chemical Society·Oleg BylJohn T Yates
Dec 29, 2007·Proceedings of the National Academy of Sciences of the United States of America·Daisuke TakaiwaHideki Tanaka
Aug 8, 2008·Nano Letters·Chuanfu LuoXiao Cheng Zeng
Oct 1, 2008·Physical Chemistry Chemical Physics : PCCP·S JähnertG H Findenegg
Mar 5, 2009·Physical Review Letters·Nicolas GiovambattistaPablo G Debenedetti
Apr 24, 2009·ACS Nano·Fuminori MikamiYutaka Maniwa
Feb 26, 2010·The Journal of Physical Chemistry. a·Obaidur RahamanDouglas J Doren
Dec 21, 2010·The Journal of Physical Chemistry. B·Obaidur RahamanDouglas J Doren
Jul 5, 2011·The Journal of Chemical Physics·Haruka KyakunoSumio Iijima
Mar 26, 2013·Nano Letters·Jens H WaltherPetros Koumoutsakos
Aug 2, 2013·The Journal of Chemical Physics·Thomas P SenftleAdri C T van Duin
Jun 2, 2014·The Journal of Chemical Physics·Chandan K Das, Jayant K Singh
Nov 5, 2014·Environmental Science & Technology·Marta C HatzellBruce E Logan
Mar 18, 2015·Nature Communications·Jennifer L AchtylFranz M Geiger
Mar 24, 2015·Nature Nanotechnology·Sumedh P SurwadeShannon M Mahurin
Mar 27, 2015·Nature·G Algara-SillerI V Grigorieva
Jun 24, 2015·Proceedings of the National Academy of Sciences of the United States of America·Kenji Mochizuki, Kenichiro Koga
Nov 18, 2015·Journal of Chemical Theory and Computation·Muralikrishna RajuAdri C T van Duin
Jan 6, 2016·Scientific Reports·Fabiano CorsettiEmilio Artacho
Jan 30, 2016·Physical Review Letters·Ji ChenAngelos Michaelides
Apr 5, 2016·Nature Nanotechnology·Ramya H TunuguntlaAleksandr Noy
Nov 29, 2016·Nature Nanotechnology·Kumar Varoon AgrawalMichael S Strano

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Citations

Dec 4, 2019·Physical Chemistry Chemical Physics : PCCP·Amrita Goswami, Jayant K Singh
Dec 14, 2018·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Huynh Anh HuyGiang Hoang Nguyen
Apr 7, 2019·Scientific Reports·Mohamed Shaat, Yongmei Zheng
Apr 4, 2020·The Journal of Chemical Physics·Viktor RozsaGiulia Galli
Sep 24, 2020·The Journal of Chemical Physics·Yuji Adachi, Kenichiro Koga
Sep 19, 2020·Physical Review. E·Jose Cobeña-Reyes, M Sahimi
Jan 21, 2021·ACS Nano·Depeng ZhangZhigang Wang
Mar 6, 2021·Physical Chemistry Chemical Physics : PCCP·Ehsan HosseiniRouzbeh Shahsavari
May 27, 2021·Physical Chemistry Chemical Physics : PCCP·Sohaib MohammedGreeshma Gadikota
Apr 5, 2019·The Journal of Physical Chemistry Letters·Yonghwan YunYousung Jung
Jul 8, 2020·Langmuir : the ACS Journal of Surfaces and Colloids·Xuan TongQiuwang Wang
Aug 14, 2020·The Journal of Physical Chemistry Letters·Hossein GhorbanfekrFrançois M Peeters

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Methods Mentioned

BETA
transmission electron microscopy

Software Mentioned

ReaxFF
GCMC

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