Journal Papers

Journal Papers (* corresponding authors),     






26. Yue Zhao, Gaoyang Gou*, Xiaoli Lu, and Yue Hao*, "Intrinsic Auxeticity and Negative Piezoelectricity in Two-dimensional Group-IV dipnictide monolayers with In-plane Anisotropy", J. Mater. Chem. C (2021), accepted.




25. Min Zhao, Gaoyang Gou*, Xiangdong Ding* and Jun Sun, "Ultrathin Two-Dimensional Vertical Ferroelectric Tunneling Junction based on CuInP2S6 Monolayer", Nanoscale 12, 12522-12530 (2020).



24. Gaoyang Gou*, Min Zhao, Jing Shi, Jaye K. Harada and James M. Rondinelli*, "Anion Ordered and Ferroelectric Ruddlesden-Popper Oxynitride Ca3Nb2N2O5 for Visible-Light-Active Photocatalysis", Chem. Mater. 32, 2815−2823 (2020).



23. Yinglu Jia, Min Zhao, Gaoyang Gou*, Xiao Cheng Zeng* and Ju Li*, "Niobium oxide dihalides NbOX2: a new family of two-dimensional van der Waals layered materials with intrinsic ferroelectricity and antiferroelectricity", Nanoscale Horiz. 4, 1113-1123 (2019).

Featured in Horizons Community Board Collection – Emerging 2D Materials for Energy and Electronics Applications

22. Mu-Qing Li, Min Zhao, Le-Yu Bi, Yue-Qiao Hu, Gaoyang Gou,* Ju Li* and Yan-Zhen Zheng*, "Two-Dimensional Silver(I)-Dithiocarboxylate Coordination Polymer Exhibiting Strong Near-Infrared Photothermal Effect", Inorg. Chem. 58, 6601-6608 (2019).




21. Min Zhao, Gaoyang Gou*, Xiangdong Ding, and Jun Sun, "Enhancing Visible Light Absorption for Ferroelectric Sn2P2S6 by Se Anion Substitution", J. Phys. Chem. C 122, 25565-25572 (2018).




20Gaoyang Gou*, Nenian Charles, Jing Shi, and James M. Rondinelli*, "A-site Ordered Double Perovskite CaMnTi2O6 as a Multifunctional Piezoelectric and Ferroelectric-Photovoltaic material", Inorg. Chem. 56, 11854–11861 (2017).

19. Ming Wu, Xiaojie Lou*, Tangyuan Li, Junning Li, Shaolan Wang, Wei Li, Biaolin Peng and Gaoyang Gou*, "Ni-doped SrBi2Nb2O9 – Perovskite oxides with reduced band gap and stable ferroelectricity for photovoltaic applications", J. Alloys Compd. 724, 1093-1100 (2017).


18. Gaoyang Gou*, Joshua Young, Xian Liu and James M. Rondinelli*, "Interplay of Cation Ordering and Ferroelectricity in Perovskite Tin Iodides: Designing Polar Halide Perovskite for Photovoltaic Applications", Inorg. Chem. 56, 26–32 (2017). Forum Article of Halide Perovskites special issue, ESI Highly Cited Paperhighlighted by X-MOL





17. Xiangjian Wang,* Gaoyang Gou, Dawei Wang, Haiyan Xiao, Yang Liu, Ming Zhang, Brahim Dkhil, Xiaobing Ren and Xiaojie Lou*, "Structural, electronic and magnetic properties of metal–organic-framework perovskites [AmH][Mn(HCOO)3]: a first-principles study", RSC Adv., 6, 48779-48787 (2016).


16. Hua Wang, Gaoyang Gou* and Ju Li*, "Ruddlesden-Popper Perovskite Sulphides A3B2S7: A New Family of Ferroelectric Photovoltaic Materials for the Visible Spectrum", Nano Energy, 22 507-513 (2016). Highlighted by XJTU News,


15.  Chao Wu, Hua Wang, Jiajia Zhang, Gaoyang Gou*, Bicai Pan and Ju Li*, "Lithium-Boron (Li-B) Monolayers: First-Principles Cluster Expansion and Possible Two-Dimensional Superconductivity", ACS Appl. Mater. Interfaces, 8 2526–2532 (2016).




14.  Yongjun Li, Jianjun Wang, Jianchao Ye, Xiaoxing Ke, Gaoyang Gou, Yan Wei, Fei Xue, Jing Wang, Chuanshou Wang, Renci Peng, XuLiang Deng, Yong Yang, Xiaobing Ren, Long-Qing Chen, Ce-Wen Nan and Jin-Xing Zhang*, "Mechanical Switching of Nanoscale Multiferroic Phase Boundaries", Adv. Funct. Mater., 25 3405-3413 (2015).




13. Gaoyang Gou* and Jing Shi, "Piezoelectricity Enhancement in Dion-Jacobson RbBiNb2O7 via Negative Pressure", Europhys. Lett., 108 67006 (2014).


12. Jiajia Zhang, Gaoyang Gou*, and Bicai Pan, "Study of phase stability and hydride diffusion mechanism of BaTiO3 oxyhydride from first-principles", J. Phys. Chem. C,  118, 17254 (2014)


11. Gaoyang Gou*, and James M. Rondinelli*, "Piezoelectricity across a strain-induced isosymmetric ferri-to-ferroelectric transition", Adv. Mater. Interfaces1, 1400042 (2014)

Advanced Materials Interfaces Back Cover: Piezoelectricity Across a Ferri-to-Ferroelectric Transition


10. Jun Li, Xingbin Yan*, Gaoyang Gou*, Zhao Wang and Jiangtao Chen, Engineering the field emission properties of graphene film by gas adsorbates”, Phys. Chem. Chem. Phys., 16, 1850 (2014)




9. Jinxing Zhang,* Xiaoxing Ke,* Gaoyang Gou, Jan Seidel, Bin Xiang, Pu Yu, Wen-I Liang, Andrew M. Minor, Ying-hao Chu, Gustaaf Van Tendeloo, Xiaobing Ren and Ramamoorthy Ramesh, A nanoscale shape memory oxide”, Nature Communications, 4, 2768 (2013) 

o   Featured on Nov. 19, 2013 Materials Research Society's Materials News

o   Highlight by Nature Asia, Nanotechnology: An oxide with a shape memory

o   Featured on Dec. 3, 2013 Berkeley Lab News Center, Remembrances of Things Past: Berkeley Lab Researchers Discover Nanoscale Shape-Memory Oxide

o   Highlight by Nature Materials, 13, 6–8 (2014), Shape-memory materials: Nanoscale oxides shape up



8. Ilya Grinberg, D. Vincent West, Maria Torres, Gaoyang Gou, David M. Stein, Liyan Wu, Guannan Chen, Eric M. Gallo, Andrew R. Akbashev, Peter K. Davies, Jonathan E. Spanier and Andrew M. Rappe*, Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials”, Nature, 503, 509 (2013),  ESI Highly Cited Paper.

Nature cover: make the most of the sun



(Before Join XJTU)


7. Gaoyang Gou, Ilya Grinberg, Andrew M. Rappe and James M. Rondinelli, Lattice normal modes and electronic properties of the correlated metal LaNiO3, Phys. Rev. B, 84, 144101 (2011)


6. Gaoyang Gou, Joseph W. Bennett, Hiroyuki Takenaka, and Andrew M. Rappe, “Post density functional theoretical studies of highly polar semiconductive Pb(Ti1-xNix)O3-x solid solutions: The effects of cation arrangement on band gap”, Phys. Rev. B, 83, 205115 (2011)


5. Gaoyang Gou, Bicai Pan*, and Lei Shi*, “Noncovalent Functionalization of BN Nanotubes with Perylene Derivative Molecules: An ab Initio Study”, ACS Nano 4, 1313 (2010)

4. Gaoyang Gou, Bicai Pan*, and Lei Shi*, “The nature of radiative transitions in O-doped boron nitride nanotubes”, J. Am. Chem. Soc. 131, 4839 (2009)

3. Gaoyang Gou, Bicai Pan*, and Lei Shi*, “Interaction of iron atoms with pristine and defective (8,0) boron nitride nanotubes”, J. Phys. Chem. C 112, 13571 (2008)


2. Gaoyang Gou, Bicai Pan*, and Lei Shi*, “Theoretical Study of the Site-Dependent Stabilities of Intrinsic Defects in a Polar BN Nanotube with Finite Length”, J. Phys. Chem. C 112, 19353 (2008)


1. Gaoyang Gou, Bicai Pan*, and Lei Shi*, “Theoretical study of size-dependent properties of BN nanotubes with intrinsic defects”, Phys. Rev. B 76, 155414 (2007).

Selected for the October 29, 2007 issue of <<Virtual Journal of Nanoscale Science & Technology.