Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Jayant K. Singh"'
Publikováno v:
The Journal of Physical Chemistry C. 125:22283-22294
Autor:
Amrita Goswami, Jayant K. Singh
Publikováno v:
The Journal of Physical Chemistry C. 124:5460-5468
Inspired by the discovery of high-pressure ice inclusions in diamond, we investigate the rich structural diversity of high-pressure phases of quasi-two-dimensional water constrained by diamond matr...
Autor:
Vinithra Gurunarayanan, Thiruvancheril G. Gopakumar, Prithwidip Saha, Vivek K. Yadav, Ramesh Ramapanicker, Jayant K. Singh
Publikováno v:
The Journal of Physical Chemistry C. 123:18488-18494
The ultrathin films of 2-ferrocenyl-1,3-dithiolane (FcS2C3) and 2-ferrocenyl-1,3-dithiane (FcS2C4) drop-casted from toluene on highly oriented pyrolytic graphite (HOPG) surface are investigated using atomic force microscopy (AFM). Two types of growth
Publikováno v:
The Journal of Physical Chemistry C. 123:12276-12285
All atom molecular dynamics simulations and experiments were performed to understand the adsorption behavior of gadolinium (Gd3+) ion on the crown ethers grafted polystyrene (PS) surface. Two different types of crown ethers, viz., dibenzo crown ether
Autor:
Atanu K. Metya, Jayant K. Singh
Publikováno v:
The Journal of Physical Chemistry C. 122:19056-19066
In this work, we have carried out a systematic study of nucleation of a supercooled nanofluid droplet on a graphite substrate using molecular dynamics simulations. In particular, the effect of nano...
Autor:
Manish Maurya, Jayant K. Singh
Publikováno v:
The Journal of Physical Chemistry C. 122:14654-14664
Grand canonical Monte Carlo simulations are conducted to investigate the adsorption ability of a 3-D graphene sponge (GS) to separate acidic gases from flue gas stream. To assess the adsorption capacity of GS, first, adsorption of pure component flue
Autor:
Sadanandam Namsani, Jayant K. Singh
Publikováno v:
The Journal of Physical Chemistry C. 122:2113-2121
Graphene–metal nanocomposites are promising materials to address the heat dissipation problems in nanoscale electronic and computing devices. A low resistance interface between metal and graphene contact is crucial for the development of highly eff
Publikováno v:
The Journal of Physical Chemistry C. 121:13457-13473
Adsorption and separation of gases in porous carbon models are studied using molecular simulations. We use three porous carbon models (named as cs400, cs1000, and cs1000a) developed in a previous work obtained from Hybrid Reverse Monte Carlo simulati
Autor:
Jayant K. Singh, Anitha Kommu
Publikováno v:
The Journal of Physical Chemistry C. 121:7867-7880
The industries discharge a variety of pollutants, such as heavy metals, organic toxins, and oils, in water resources. Exposure of these contaminants in water causes adverse health effects on various forms of life. Novel materials are needed for the e
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