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Bulletin of Pure and Applied Sciences- Physics (Started in 1982)
eISSN: 2320-3218
pISSN: 0970-6569
Impact Factor: 5.195 (2017)
DOI: 10.5958/2320-3218
Editor-in-Chief:  Prof. Madan jee,
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Bulletin of Pure and Applied Sciences- Physics (Started in 1982)
Year : 2019, Volume & Issue : BPAS-Physics 38D(1), JAN-JUN 2019
Page No. : 22-26, Article Type : Original Aticle
Article DOI : 10.5958/2320-3218.2019.00004.6 (Received on 25.03.2019 Accepted on 02.05.2019)

Effect of Hydrogen on the Microstructure Evolution of Nanocrystalline Silicon

Amita Sharma*
Author’s Affiliation : Amita Sharma Department of Physics, R.D.S. College, Muzaffarpur, 842001, Bihar India.

Corresponding Author : Amita Sharma, Department of Physics, R.D.S. College, Muzaffarpur, 842001, Bihar India. ,
E-Mail:-[email protected]


We have studied the effect of hydrogen on the microstructure evolution of nanocrystalline silicon. We have performed molecular dynamics simulations to identify the role of hydrogen on the nanocrystalline silicon recrystallization phenomena. It requires an accurate description of any relevant atomic scale feature. We have taken advances in computer modeling of nanocrystalline silicon and the development of quantitative analysis tools. We have characterized the microstructure evolution of nanocrystalline silicon by varying both the crystallinity and the hydrogen content. We have estimated the rate of recrystallization as a function of the hydrogeneration and showed that the boundary mobility decreased exponentially with hydrogen due to the occurrence of clustering and to the accumulation of the hydride at the boundaries. We have studied the atomistic details of the elementary recrystallization process investigating the ability of dissolved hydrogen to slow down the mobility of the amorphous crystalline boundaries. The effect is enhanced by increasing the hydrogen content with a recrystallization rate that decreased exponentially with hydrogen concentration. We found that at low concentration the hydrogen tended to migrate from the crystal phase to amorphous one directly affecting the thickness of the grain boundaries and increased their effective interface.


Microstructure, nanocrystalline, hydrogenation, mobility, clustering, atomistic, amorphous, concentration.
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