Reverse nonequilibrium molecular dynamics modeling is used to study the influence of grain boundaries on thermal properties of mono–layer hexagonal boron nitride (h–BN) nanoribbons. We consider symmetric grain boundaries consisting of series of pentagon–heptagon ring defects. Our results show a jump in the temperature profile at the location of grain boundary. The jump is consistently increasing with increase in the mis-orientation angle of nanoribbons with grain boundaries. This is attributed to an increase in the pentagon–heptagon defect density along the grain boundary. The temperature profile is used to calculate the Kapitza (interface) conductance of grain boundaries as a function of the misorientation angle of grain boundaries. Our results show that Kapitza conductance of the grain boundaries decreases with increase in the misorientation angle. Zigzag nanoribbons show slightly higher Kapitza conductance than armchair nanoribbons.

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