How methylammonium cations and chlorine dopants heal defects in lead iodide perovskites.Advanced Energy Materials.2018,8:1702754

Molecular materials property prediction package (MOMAP) 1.0: a software package for predicting the luminescent properties and mobility of organic functional materials.Molecular Physics.2018,116:1078-1090

Engineering chemically active defects in monolayer MoS2 transistors via ion-beam irradiation and their healing via vapor deposition of alkanethiols.Advanced Materials.2017,29:1606760

The lowest-energy charge-transfer state and its role in charge separation in organic photovoltaics.Physical Chemistry Chemical Physics.2016,18:17546-17556

Do 'hot' charge-transfer excitons promote free carrier generation in organic photovoltaics.The Journal of Physical Chemistry C.2015,119:15028-15035

Theoretical comparative studies on transport properties of pentacene, pentathienoacene and 6.13-dichloropentacene.Journal of Computational Chemistry.2015,36:891-900

Crystal structure versus charge transport in organic single crystals of [1]benzothieno[3,2-b][1]benzothiophene derivatives from a multiscale theoretical study.Journal of Materials Chemistry C.2014,2:1447-1456

Crystal packing and charge transport in single crystals of chrysene derivatives: Impact of halogenation.Science China Chemistry.2013,56:210-221

Influence of lattice dynamics on charge transport in dianthra[2,3-b:2’,3’-f]-thieno[3,2-b]thiophene organic crystal from a theoretical study.Physical Chemistry Chemical Physics.2012,14:9451-9459

Phase dependence of hole mobilities in dibenzo-tetrathiafulvalene crystal: A first-principles study.Organic Electronics.2012,13:1229-1236