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(2016) Synthesis of aligned symmetrical multifaceted monolayer hexagonal boron nitride
single crystals on resolidified copper. Nanoscale 8:2434–2444
50. Song X, Gao J, Nie Y, Gao T, Sun J, Ma D, Li Q, Chen Y, Jin C, Bachmatiuk A (2015)
Chemical vapor deposition growth of large-scale hexagonal boron nitride with controllable
orientation. Nano Research 8:3164–3176
51. Shi Y, Hamsen C, Jia X, Kim KK, Reina A, Hofmann M, Hsu AL, Zhang K, Li H, Juang Z-Y
(2010) Synthesis of few-layer hexagonal boron nitride thin film by chemical vapor deposition.
Nano Lett 10:4134–4139
52. Gao Y, Ren W, Ma T, Liu Z, Zhang Y, Liu W-B, Ma L-P, Ma X, Cheng H-M (2013) Repeated
and controlled growth of monolayer, bilayer and few-layer hexagonal boron nitride on Pt
foils. ACS Nano 7:5199–5206
53. Park J-H, Park JC, Yun SJ, Kim H, Luong DH, Kim SM, Choi SH, Yang W, Kong J, Kim KK
(2014) Large-area monolayer hexagonal boron nitride on Pt foil. ACS Nano 8:8520–8528
54. Pakdel A, Bando Y, Golberg D (2013) Morphology-driven nonwettability of nanostructured
BN surfaces. Langmuir 29:7529–7533
55. Pakdel A, Zhi C, Bando Y, Nakayama T, Golberg D (2011) Boron nitride nanosheet coatings
with controllable water repellency. ACS Nano 5:6507–6515
56. Yu J, Qin L, Hao Y, Kuang S, Bai X, Chong Y-M, Zhang W, Wang E (2010) Vertically
aligned boron nitride nanosheets: chemical vapor synthesis, ultraviolet light emission, and
superhydrophobicity. ACS Nano 4:414–422
57. Shannon RE (1998) Introduction to the art and science of simulation. In: 1998 winter
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58. Maria A (1997) Introduction to modeling and simulation, Winter simulation conference, pp
7–13
59. Saghatchi R, Ghazanfarian J, Gorji-Bandpy M (2014) Numerical simulation of water-entry
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60. Zen A, Luo Y, Mazzola G, Guidoni L, Sorella S (2015) Ab initio molecular dynamics
simulation of liquid water by quantum Monte Carlo. J Chem Phys 142:
61. Hasanzadeh A, Pakdel S, Azamat J, Erfan-Niya H, Khataee A (2020) Atomistic understanding
of gas separation through nanoporous DDR-type zeolite membrane. Chem Phys, 110985
62. Rapaport DC, Rapaport DCR (2004) The art of molecular dynamics simulation. Cambridge
University Press
63. Ebro H, Kim YM, Kim JH (2013) Molecular dynamics simulations in membrane-based water
treatment processes: a systematic overview. J Membr Sci 438:112–125
64. Metropolis N, Rosenbluth AW, Rosenbluth MN, Teller AH, Teller E (1953) Equation of state
calculations by fast computing machines. J Chem Phys 21:1087–1092
65. Hasanzadeh A, Azamat J, Pakdel S, Erfan-Niya H, Khataee A (2020) Separation of noble gases
using CHA-type zeolite membrane: insights from molecular dynamics simulation. Chemical
Papers, pp 1–9
66. Azamat J, Khataee A, Sadikoglu F (2018) Computational study on the efficiency of MoS2
membrane for removing arsenic from contaminated water. J Mol Liq 249:110–116
67. Jafarzadeh R, Azamat J, Erfan-Niya H (2018) Fluorine-functionalized nanoporous graphene
as an effective membrane for water desalination. Struct Chem 29:1845–1852
68. Andersen HC (1980) Molecular dynamics simulations at constant pressure and/or temperature.
J Chem Phys 72:2384–2393
69. Werber JR, Osuji CO, Elimelech M (2016) Materials for next-generation desalination and
water purification membranes. Nature Reviews Materials 1:16018
70. Azamat J, Khataee A, Joo SW (2014) Functionalized graphene as a nanostructured membrane
for removal of copper and mercury from aqueous solution: a molecular dynamics simulation
study. J Mol Graph Model 53:112–117
71. Garnier L, Szymczyk A, Malfreyt P, Ghoufi A (2016) Physics behind water transport through
nanoporous boron nitride and graphene. J Phys Chem Lett 7:3371–3376
S. Majidi et al.
49. Tay RY, Park HJ, Ryu GH, Tan D, Tsang SH, Li H, Liu W, Teo EHT, Lee Z, Lifshitz Y
(2016) Synthesis of aligned symmetrical multifaceted monolayer hexagonal boron nitride
single crystals on resolidified copper. Nanoscale 8:2434–2444
50. Song X, Gao J, Nie Y, Gao T, Sun J, Ma D, Li Q, Chen Y, Jin C, Bachmatiuk A (2015)
Chemical vapor deposition growth of large-scale hexagonal boron nitride with controllable
orientation. Nano Research 8:3164–3176
51. Shi Y, Hamsen C, Jia X, Kim KK, Reina A, Hofmann M, Hsu AL, Zhang K, Li H, Juang Z-Y
(2010) Synthesis of few-layer hexagonal boron nitride thin film by chemical vapor deposition.
Nano Lett 10:4134–4139
52. Gao Y, Ren W, Ma T, Liu Z, Zhang Y, Liu W-B, Ma L-P, Ma X, Cheng H-M (2013) Repeated
and controlled growth of monolayer, bilayer and few-layer hexagonal boron nitride on Pt
foils. ACS Nano 7:5199–5206
53. Park J-H, Park JC, Yun SJ, Kim H, Luong DH, Kim SM, Choi SH, Yang W, Kong J, Kim KK
(2014) Large-area monolayer hexagonal boron nitride on Pt foil. ACS Nano 8:8520–8528
54. Pakdel A, Bando Y, Golberg D (2013) Morphology-driven nonwettability of nanostructured
BN surfaces. Langmuir 29:7529–7533
55. Pakdel A, Zhi C, Bando Y, Nakayama T, Golberg D (2011) Boron nitride nanosheet coatings
with controllable water repellency. ACS Nano 5:6507–6515
56. Yu J, Qin L, Hao Y, Kuang S, Bai X, Chong Y-M, Zhang W, Wang E (2010) Vertically
aligned boron nitride nanosheets: chemical vapor synthesis, ultraviolet light emission, and
superhydrophobicity. ACS Nano 4:414–422
57. Shannon RE (1998) Introduction to the art and science of simulation. In: 1998 winter
simulation conference. Proceedings (Cat. No. 98CH36274), IEEE, pp 7–14
58. Maria A (1997) Introduction to modeling and simulation, Winter simulation conference, pp
7–13
59. Saghatchi R, Ghazanfarian J, Gorji-Bandpy M (2014) Numerical simulation of water-entry
and sedimentation of an elliptic cylinder using smoothed-particle hydrodynamics method. J
Offshore Mech Arct Eng 136:
60. Zen A, Luo Y, Mazzola G, Guidoni L, Sorella S (2015) Ab initio molecular dynamics
simulation of liquid water by quantum Monte Carlo. J Chem Phys 142:
61. Hasanzadeh A, Pakdel S, Azamat J, Erfan-Niya H, Khataee A (2020) Atomistic understanding
of gas separation through nanoporous DDR-type zeolite membrane. Chem Phys, 110985
62. Rapaport DC, Rapaport DCR (2004) The art of molecular dynamics simulation. Cambridge
University Press
63. Ebro H, Kim YM, Kim JH (2013) Molecular dynamics simulations in membrane-based water
treatment processes: a systematic overview. J Membr Sci 438:112–125
64. Metropolis N, Rosenbluth AW, Rosenbluth MN, Teller AH, Teller E (1953) Equation of state
calculations by fast computing machines. J Chem Phys 21:1087–1092
65. Hasanzadeh A, Azamat J, Pakdel S, Erfan-Niya H, Khataee A (2020) Separation of noble gases
using CHA-type zeolite membrane: insights from molecular dynamics simulation. Chemical
Papers, pp 1–9
66. Azamat J, Khataee A, Sadikoglu F (2018) Computational study on the efficiency of MoS2
membrane for removing arsenic from contaminated water. J Mol Liq 249:110–116
67. Jafarzadeh R, Azamat J, Erfan-Niya H (2018) Fluorine-functionalized nanoporous graphene
as an effective membrane for water desalination. Struct Chem 29:1845–1852
68. Andersen HC (1980) Molecular dynamics simulations at constant pressure and/or temperature.
J Chem Phys 72:2384–2393
69. Werber JR, Osuji CO, Elimelech M (2016) Materials for next-generation desalination and
water purification membranes. Nature Reviews Materials 1:16018
70. Azamat J, Khataee A, Joo SW (2014) Functionalized graphene as a nanostructured membrane
for removal of copper and mercury from aqueous solution: a molecular dynamics simulation
study. J Mol Graph Model 53:112–117
71. Garnier L, Szymczyk A, Malfreyt P, Ghoufi A (2016) Physics behind water transport through
nanoporous boron nitride and graphene. J Phys Chem Lett 7:3371–3376