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A Functional Group Approach for Prediction of APPI Response of Organic Synthetic Targets

Zhurov, Konstantin ; Menin, Laure ; Di Franco, Thomas ; Tsybin, Yury

In: Journal of The American Society for Mass Spectrometry, 2015, vol. 26, no. 7, p. 1221-1232

Université de Fribourg

Thermal energy transport across the interface between phase change material n-heneicosane in solid and liquid phases and few-layer graphene

Chilukoti, Hari Krishna ; Zhou, Tianhang ; Ardham, Vikram Reddy ; Böhm, Michael C. ; Müller-Plathe, Florian

In: The Journal of Physical Chemistry C, 2019, vol. 123, no. 48, p. 29192–29202

Molecular dynamics simulations have been performed to investigate the mechanism of thermal energy transport at the interface between n-heneicosane in solid and liquid phases and few-layer graphene at different temperatures under two heating modes (in the “heat-matrix” mode, heat is flowing from the heated heneicosane molecules to the cooled ones through the graphene layers and in the...