Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Jayant K. Singh"'
Publikováno v:
The Journal of Physical Chemistry C. 120:7510-7521
Carbon nanotubes (CNTs) have been identified as extremely promising candidates for gas capture and storage. Therefore, an understanding of the adsorption mechanisms is crucial to the improvement of CNT applications. In this work, grand-canonical Mont
Publikováno v:
The Journal of Physical Chemistry C. 119:15232-15239
The adsorption and orientational ordering of carbon dioxide molecules on parallel bundles of charged as well as uncharged carbon nanotubes were investigated at 300 K using grand canonical Monte Carlo and molecular dynamics. Zigzag and armchair single
Publikováno v:
Langmuir : the ACS journal of surfaces and colloids. 33(12)
Janus particles provide an asymmetry in structure, which can impart diverse functionalities leading to immense importance in various applications, ranging from targeted delivery to interfacial phenomena, including catalysis, electronics, and optics.
Autor:
Sandip Khan, Jayant K. Singh
Publikováno v:
Molecular Simulation. 40:458-468
The crossover behaviour of water droplet's state from the Wenzel state to the Cassie state with varying pillar height and surface fraction is examined critically using molecular dynamics. We report the effect of the system size on the wetting behavio
Publikováno v:
The Journal of Physical Chemistry C. 117:13492-13501
Grand-canonical Monte Carlo simulations and adsorption experiments are conducted to understand the adsorption of CO2 onto bundles of 3D aligned double-walled carbon-nanotubes of diameter 5 nm at 303 K. The simulation of partial adsorption isotherms,
Publikováno v:
Soft matter. 12(12)
In this work, the effect of temperature on the contact angle of a water droplet on grafted thermo-responsive poly-(N-isopropylacrylamide) (PNIPAAm) polymer brushes is studied using all-atom molecular dynamics simulations in the temperature range of 2
Autor:
Sadanandam Namsani, Jayant K. Singh
Publikováno v:
Faraday discussions. 186
The dynamics of dewetting of gold films on graphene surfaces is investigated using molecular dynamics simulation. The effect of temperature (973–1533 K), film diameter (30–40 nm) and film thickness (0.5–3 nm) on the dewetting mechanism, leading
Autor:
Jacques Jestin, Sanat K. Kumar, Madivala G. Basavaraj, Sudeep N. Punnathanam, Mayank Misra, Nirmalya Bachhar, Jayant K. Singh, Ajeet K. Srivastav, G. V. Pavan Kumar, Oleg Gang, Guruswamy Kumaraswamy, Vandana Shinde, Semen Chervinskii, Alison J. Edwards, Priyadarshi Roy Chowdhury, Alamgir Karim, Erika Eiser, Bijai Prasad, Yon Ju-Nam, Ranjini Bandyopadhyay, Charusita Chakravarty, Mukta Tripathy, Siddharth Kulkarni, Andrea R. Tao, Lola González-García, Steve Granick, Jyoti Seth, Sristi Majumdar, Madhura Som, Radhika Poojari, Amit Kumar Singh, Himani Medhi, Daan Frenkel, Rajdip Bandyopadhyaya, Nicholas A. Kotov, Michael R. Bockstaller, Neena S. John, Vinothan N. Manoharan, Vimala Sridurai
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fd0598b329ede3e76cc1ff024fcfe95e
https://cronfa.swan.ac.uk/Record/cronfa28251
https://cronfa.swan.ac.uk/Record/cronfa28251
Autor:
Jayant K. Singh
Publikováno v:
Chemical Modelling ISBN: 9781782625414
A fluid may undergo different phase transitions on a surface depending on the state condition, competitive interaction of fluid–fluid and fluid–surface, and/or responsive nature of the surface. In this chapter, we will present advances in molecul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e0943c1288edd6dc4c89d6ec15179158
https://doi.org/10.1039/9781782626862-00072
https://doi.org/10.1039/9781782626862-00072
Publikováno v:
The journal of physical chemistry. A. 119(30)
The adsorption behaviors of heavy metal ions Cd(2+), Cu(2+), Pb(2+), and Hg(2+), in aqueous media using functionalized single-walled carbon nanotube (SWCNT) with functional groups -COO(-), -OH, and -CONH2 are studied using molecular dynamics (MD) sim