Ding, Guangqian; Gao, Guoying*; Yao, Kailun "High-efficient thermoelectric materials: The case of orthorhombic IV-VI compounds", Sci. Rep.  (2015) 5: 9567

Ding, Guangqian; Gao, Guoying*; Yao, Kailun "Examining the thermal conductivity of the half-Heusler alloy TiNiSn by first-principles calculations", J. Phys. D: Appl. Phys. 4(2015)235302(4pp)

Ding, Guangqian; Li, Jie; Gao, Guoying* "Band structure engineering of multiple band degeneracy for enhanced thermoelectric power factors in MTe and MSe(M=Pb,Sn,Ge)", RSC Adv., 2015, 5, 91974-91978

Zhu, L; Zou, F; Gao, J H; Fu, Y S; Gao, G Y; Fu, H H; Wu, M H; Lu, J T; Yao, K L* "The integrated spintronic functionalities of an individual high-spin state spin-crossover molecule between graphene nanoribbon electrodes", Nanotechnology 26(2015)35201(6pp)

Mi, Xue-Ya; Yu, Xiaoxiang; Yao, Kai-Lun; Huang, Xiaoming; Yang, Nuo*; Lü, Jing-Tao* "Enhancing the Thermoelectric Figure of Merit by Low-Dimensional Electrical Transport in Phonon-Glass Crystals", Nano Lett. 2015, 15, 5229-5234

Wu, Menghao*; Fu, Huahua; Zhou, Ling; Yao, Kailun; Zeng, Xiao Cheng* "Nine New Phosphorene Polymorphs with Non-Honeycomb Structures: A Much Extended Family", Nano Lett.2015, 15, 3557-3562

Lü, Jing-Tao*; Zhou, Hangbo; Jiang, Jin-Wu; Wang, Jian-Sheng "Effects of electron-phonon interaction on thermal and electrical transport through molecular nano-conductors", AIP ADVANCES 5, 053204(2015)

Xu, Gai; Li, Yuebin*; Qin, Yu; Liu, Zuli*; Han, Junbo; Han, Yibo; Yao, Kailun "Fabrication and enhanced optical properties of ZnSe:Mn quantum dots/poly(LMA-co-EGDMA) composite thin film by alkylthiol modification", OPTICAL MATERIALS EXPRESS 1460-1468

Fan, S W*; Song, T; Yao, K L"Ferromagnetism and electronic structure for carbon doped bulk and surface In2O3: Ab initio calculations", Computational Materials Science 106 (2015) 45–49

Yu, L; Gao, G Y; Zhu, L; Deng, L; Yang, Z Z; Yao, K L*"First principles study of magnetoelectric coupling in Co2FeAl/BaTiO3 tunnel junctions", Phys. Chem.Chem.Phys., 2015, 17, 14986

Gu-Lei; Fu,Hua-Hua* "Current-induced forces: a new mechanism to induce negative differential resistance and current-switching effect in molecular junctions", Nanotechnology 26(2015)485703(5pp)

Fu, H H*; Gu, L; Wu, D D; Zhang, Z Q"Enhancement of the thermoelectric figure of merit in DNA-like systems induced by  Fano and Dicke effects",Phys.Chem.Chem.Phys.,2015,17,11077

Fu, Hua-Hua*; Wu, Dan-Dan; Zhang, Zu-Quan; Gu, Lei"Spin-dependent Seebeck Effect, Thermal Colossal Magnetoresistance and Negative Differential Thermoelectric Resistance in Zigzag Silicene Nanoribbon Heterojunciton", Sci. Rep. 2015, 5: 10547

Peng, L; Yao, K L*; Wu, R Q; Wang, S L; Zhu, S C; Ni, Y; Zu, F X; Liu, Z L; Guo, B "Giant magnetoresistance in zigzag MoS2 nanoribbons", Phys. Chem. Chem. Phys., 2015, 17, 10074

Moaid K. Hussain; Gao, G Y; Yao, Kai-Lun* "Half-Metallic Properties in the New Ti2NiB Heusler Alloy", J Supercond Nov Magn（2015）28: 3285-3291

Moaid K.Hussain*; Gao, G Y*; Yao, Kai-Lun* "Half-metallic properties of the new Ti2YPb(Y = Co, Fe) Heusler alloys", Int. J. Mod. Phys. B Vol. 29, No. 27(2015)1550175(13pages)

Fan, S W*; Li, W B; Yang, L; Huang, X P; Ding, L J; Yao, K L "Half-metallicity of zinc blend YSi and YSi/CdTe interfaces: By modified Becke–Johnson density functional calculations", Journal of Magnetism and Magnetic Materials 387(2015)19-23

Fu, Hua-Hua*; Wu, Dan-Dan; Gu, Lei; Wu, Meng-hao; Wu, Ru-qian "Design for a spin-Seebeck diode based on two-dimensional materials", PHYSICAL REVIEW B 92, 045418(2015)

Hussain, Moaid K; Gao, G Y; Yao, Kai-Lun* "Investigations of the electronic and magnetic structures at Heusler alloy surface: Co2TiGe (001)", Journal of Electron Spectroscopy and Related Phenomena 203(2015)45-50

Lü, Jing-Tao*; Rasmus B. Christensen; Wang,Jian-Sheng; Per Hedegard; Mads Brandbyge "Current-Induced Forces and Hot Spots in Biased Nanojunctions", PRL114, 096801(2015)

Zou, Fei; Zhu, Lin*; Yao, Kailun "Perfect spin filtering effect and negative differential behavior in phosphorus-doped zigzag graphene nanoribbons", Sci. Rep. (2015)5: 15966

Jabbar M. Khalaf Al-zyadi*; Gao, G Y; Yao, Kai-Lun "Theoretical investigation of the electronic structures and magnetic properties of the bulk and surface (001) of the quaternary Heusler alloy NiCoMnGa", Journal of Magnetism and Magnetic Materials 378(2015)1-6