周向锋

2004.09-2009.06        南京大学物理系     博士

1997.09-2001.06        湖南师范大学物理系   本科

2011.12-2014.12      南开大学物理科学学院 副教授

2014.12-----至今      南开大学物理科学学院 教授

2012.07-2014.01      布鲁克海文国家实验室 Research Associate

2014.01-2015.07      纽约州立大学石溪分校 博士后

周向锋、物理学院教授，长期从事晶体结构设计及性质研究，在理论设计、实验合成新材料硼烯及氦钠化合物等方面取得重要突破，在《科学》、《自然-化学》、《物理评论快报》等顶级期刊发表多篇论文，曾获“教育部新世纪优秀人才”，“中国新锐科技卓越影响奖”，首批“天津市杰出青年科学基金”等荣誉。发表文章及引用：http://www.researcherid.com/rid/A-1714-2010

材料性质由其内在结构决定，因此准确获取材料的晶体结构与电子性质是凝聚态物理和材料科学的永恒话题。理论预测、设计新材料丰富了人们对未知材料的认识、有利于缩短材料研发周期、降低制造成本。研究组长期从事晶体结构预测及性质研究，主要研究方向为：

1. 极端条件下的凝聚态物理

a. 代表作“高压下碳的新结构” Phys. Rev. B 82, 134126 (2010)

http://focus.aps.org/story/v26/st18

http://phys.org/news/2012-12-theoretical-reveals-experimental-crystal-important.html

b. 代表作“高压下新颖钠-氦化合物” Nat. Chem. 9, 440 (2017)

http://www.nature.com/nchem/journal/vaop/ncurrent/full/nchem.2716.html

https://phys.org/news/2017-02-team-stable-helium-compounds.html

2. 低维系统的晶体结构和电子结构

a. 代表作“狄拉克半金属硼烯” Phys. Rev. Lett. 112, 085502 (2014)

https://phys.org/news/2014-03-boron-nano-refresh-scientists-stable.html

b. 代表作“硼烯的合成与表征” Science 350, 1513 (2015)

http://www.nature.com/news/atom-thin-borophene-joins-2d-materials-club-1.19060

http://science.sciencemag.org/content/350/6267/1468.summary

http://news.china.com/domestic/945/20151223/20999735.html

博士：翁晓基(在读)，何新玲 (在读)，朱梦红(在读)

硕士：台玉可 (在读)

2017 何新玲 国家奖学金 (20,000元)

主持项目

2018          国家自然科学基金面上项目“碱金属硼化合物的结构预测与高压合成”
2017          天津市杰出青年科学基金
2016          国家自然科学基金面上项目“低维硼的结构预测及性质研究”
2014          南开大学“百名青年学科带头人培养计划”
2012          教育部“新世纪优秀人才支持计划”
2011          国家自然科学基金面上项目“高压下碳的晶体结构与性质研究”
2011          亚稳材料制备技术与科学国家重点实验室重点开放课题
2011          中国博士后科学基金第4批特别资助
2009          中国博士后科学基金第46批面上资助

专著章节

1. Q. Zhu, A. R. Oganov, Q. F. Zeng, and X. F. Zhou, "Structure prediction and its applications in computational materials design",  The Royal Society of Chemistry, 2016

2. Q. Zhu, A. R. Oganov, and X. F. Zhou, "Crystal structure prediction and its application in earth and materials science", Springer, 2014

最近发表或投稿文章 (*通讯作者)

1. X. Dong, Q. S. Wu, O. V. Yazyev, X. L. He, Y. Tian, X. F. Zhou*, and H. T. Wang*, “Condensed matter realization of fermion quasiparticles in Minkowski space”, (已投稿)

2. X. L. He, X. Dong, Q. S. Wu, Z. Zhao, Q. Zhu, A. R. Oganov, Y. Tian, D. Yu, X. F. Zhou*, and H. T. Wang,“Predicting the ground state structure of sodium boride”, Phys. Rev. B 97, 100102 (R) (2018).

Feature as Kaleidoscope https://journals.aps.org/prb/kaleidoscope/prb/97/10/100102

3. X. Dong, A. R. Oganov*, A. F. Goncharov, E. Stavrou,S. Lobanov, G. Saleh, G. R. Qian, Q. Zhu, C. Gatti, V. L. Deringer, R. Dronskowski, X. F. Zhou*, V. B. Prakapenka, Z. Konopková, I. A. Popov, A. I. Boldyrev, and H. T. Wang*, “A stable compound of helium and sodium at high pressure”, Nat. Chem. 9, 440 (2017).

Highlighted by Nature http://www.nature.com/articles/542274b

Highlighted by Nature Chemistry http://www.nature.com/articles/nchem.2768

  

  

4. X. L. He, X. J. Weng, Y. Zhang, Z. Zhao, Z. Wang, B. Xu, A. R. Oganov, Y. Tian, X. F. Zhou*, and H. T. Wang, “Two-dimensional boron on Pb (110) surface”, FlatChem7, 34 (2018).

Invited paper for the special issue of 2D boron

5.  A. J. Mannix, X. F. Zhou, B. Kiraly, J. D. Wood, D. Alducin, B. D. Myers, X. Liu, B. L. Fisher, U. Santiago, J. R. Guest, M. J. Yacaman, A. Ponce, A. R. Oganov*, M. C. Hersam*, and N. P. Guisinger*, “Synthesis of Borophenes: Anisotropic, Two-Dimensional Boron Polymorphs”, Science 350, 1513 (2015).

Highlighted by Nature, Science, ScienceDaily, and Physorg.com

  

6. X. F. Zhou* and H. T. Wang, “Low-dimensional boron: searching for Dirac materials”, Adv. Phys. X 1, 412 (2016). http://www.tandfonline.com/doi/full/10.1080/23746149.2016.1209432

7. X. F. Zhou*, A. R. Oganov, Z. Wang, I. A. Popov, A. I. Boldyrev, and H. T. Wang, “Two-dimensional magnetic boron”, Phys. Rev. B 93, 085406 (2016).

8. X. F. Zhou*, A. R. Oganov, X. Shao, Q. Zhu, and H. T. Wang, “Unexpected Reconstruction of the a-Boron (111) Surface”, Phys. Rev. Lett. 113, 176101 (2014).

Highlighted by ScienceDaily and the Statesman

9. X. F. Zhou*, X. Dong, A. R. Oganov, Q. Zhu, Y. Tian, and H. T. Wang, “Semimetallic Two-Dimensional Boron Allotrope with Massless Dirac Fermions”, Phys. Rev. Lett. 112, 085502 (2014).

Highlighted by Physicsworld, ScienceDaily, and Physorg.com

10. X. F. Zhou*,A. R. Oganov,G. R. Qian, and Q. Zhu, “First-Principles Determination of the Structure of Magnesium Borohydride”, Phys. Rev. Lett.109, 245503 (2012).

Highlighted by ScienceDaily with “Researchers Re-Establish the Structure of Magnesium Borohydride”, and Physorg.com

11. X. F. Zhou, X. Dong, Z. Zhao, A. R. Oganov, Y. Tian, and H. T. Wang*, “High-pressure phases of NaAlH₄ from first principles”, Appl. Phys. Lett. 100, 061905 (2012).

12. X. F. Zhou, A. R. Oganov, X. Dong, L. Zhang, Y. Tian, and H. T. Wang*, “Superconducting high pressure phase of platinum hydride from first principles”, Phys. Rev. B 84, 054543 (2011).

13. X. F. Zhou*, Y. Tian, and H. T. Wang, “Large shear strength enhancement of gamma-boron under normal compression”, J. Superhard Mater. 33, 401 (2011).

Invited paper for the special issue of “Boron and Boron-rich solids: to 5 years of discovery of gamma-boron”.

14. X. F. Zhou, G. R. Qian, X. Dong, L. Zhang, Y. Tian, and H. T. Wang*, “Ab initio study of the formation of transparent carbon under pressure”, Phys. Rev. B 82, 134126 (2010).

Highlighted by Physical Review Focus: http://focus.aps.org/story/v26/st18; 

Also highlighted by NewScientist and Physorg.com.

  

15. X. F. Zhou, X. Dong, G. R. Qian, L. Zhang, Y. Tian, and H. T. Wang*, “Unusual Compression Behavior of TiO₂ polymorphs from first principles”, Phys. Rev. B 82, 060102 (R) (2010).

16. X. F. Zhou, G. R. Qian, J. Zhou, B. Xu, Y. Tian, and H. T. Wang*, “Crystal structure and stability of magnesium borohydride from first principles”, Phys. Rev. B 79, 212102 (2009).

17. X. F. Zhou, J. Sun, G. R. Qian, X. Guo, Z. Liu, Y. Tian, and H. T. Wang*, “A tetragonal phase of superhard BC₂N”, J. Appl. Phys. 105, 093521 (2009).

18. X. F. Zhou, J. Sun, Y. X. Fan, J. Chen, H. T. Wang*, X. Guo, J. He, and Y. Tian, “Most likely phase of superhard BC₂N by ab initio calculations”, Phys. Rev. B 76, 100101(R) (2007).

19. X. F. Zhou, G. R. Qian, J. Sun, Y. Tian, and H. T. Wang*, “Raman model predicting hardness of covalent crystals”, arXiv: 0912.4942v1.

20. W. Xin, X. K. Li, X. L. He, B. W. Su, X. Q. Jiang, K. X. Huang, X. F. Zhou, Z. B. Liu*, and J. G. Tian*,“Black-phosphorus-based orientation-induced diodes”, Adv. Mater. 30, 1704653 (2018).

21. M. Mahdi Davari Esfahani, Q. Zhu, H. Dong, A. R. Oganov*, S. Wang, M. S. Rakitin, and X. F. Zhou, “Novel magnesium borides and their superconductivity”, Phys.Chem.Chem.Phys. 19, 14486 (2017).

22.  K. Luo, Z. Zhao*, M. Ma, S. Zhang, X. Yuan, G. Gao, X. F. Zhou, J. He, D. Yu, Z. Liu, B. Xu*, and Y. Tian, “Si₁₀: A sp³ Silicon Allotrope with Spirally Connected Si₅ Tetrahedrons”, Chem. Mater. 28, 6441 (2016).

23. H. Wang*, Q. Li*, Y. Gao, F. Miao, X. F. Zhou, and X. G. Wan, “Structure prediction and its applications in computational materials design”, New J. Phys. 18. 073016 (2016).

24. H. Dong*, A. R. Oganov, Q. Wang, S. N. Wang, Z. Wang, J. Zhang, M. D. Esfahani, X. F. Zhou, F. Wu, and Q. Zhu, “Prediction of a new ground state of superhard compound B₆O at ambient conditions”, Sci. Rep. 6, 31288 (2016).

25. Q. Zhu*, A. R. Oganov, Q. Zeng, and X. F. Zhou, “Structure prediction and its applications in computational materials design”, Chem. Model. 12, 219 (2016).

Book chapter published by the Royal Society of Chemistry

26. M. Mahdi Davari Esfahani, Z. Wang, A. R. Oganov*, H. Dong, Q. Zhu, S. Wang, M. S. Rakitin and X. F. Zhou, “Superconductivity of novel tin hydrides (Sn_nH_m) under pressure”, Sci. Rep. 6, 22873 (2016).

27. Z. Wang*, X. F. Zhou, X. Zhang, Q. Zhu, H. Dong, M. Zhao*, and A. R. Oganov*, “Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones”, Nano Lett. 15, 6182 (2015).

28. M. S. Rakitin*, A. R. Oganov*, H. Niu, M. Mahdi Davari Esfahani, X. F. Zhou, G. R. Qian, and V. L. Solozhenko, “A novel phase of beryllium fluoride at high pressure”, Phys. Chem. Chem. Phys.17, 26283 (2015).

29. D. Li*, A. R. Oganov, X. Dong, X. F. Zhou, Q. Zhu, G. R. Qian, and H. Dong, “Nitrogen oxides under pressure: stability, ionization, polymerization, and superconductivity”, Sci. Rep. 5, 16311 (2015).

30. Q. Wang*, A. R. Oganov, Q. Zhu, and X. F. Zhou, “New reconstructions of the (110) surface of rutile TiO₂ predicted by an evolutionary method”, Phys. Rev. Lett.113, 266101 (2014).

31. Q. Zhu, A. R. Oganov*, and X. F. Zhou, “Crystal Structure Prediction and Its Application in Earth and Materials Sciences”, Top Curr Chem. 345, 223 (2014).

Book chapter published by Springer Berlin Heidelberg

32. G. R. Qian*, X. Dong, X. F. Zhou, Y. Tian, A. R. Oganov, and H. T. Wang*,“Variable cell nudged elastic band method for studying solid-solid structural phase transitions”, Comput. Phys. Commun. 184, 2111 (2013).

33. X.Dong, X.F. Zhou, G. R. Qian, Z. Zhao, Y. Tian, and H. T. Wang*, “An ab initio study on the transition paths from graphite to diamond under pressure”, J. Phys. Condens. Matter 25, 145402 (2013).

34. Z. Zhao, X. F. Zhou, M. Hu, D. Yu, J. He, H. T. Wang, Y. Tian, and B. Xu*, “High Pressure Behaviors of Carbon Nanotubes”, J. Superhard Mater. 34, 372 (2012).

35. Y. Feng, F. Li, Z. Hu, X. Luo, L. Zhang*, X. F. Zhou, H. T. Wang, J. J. Xu, and E. G. Wang, “Tuning the catalytic property of nitrogen-doped graphene for cathode oxygen reduction reaction”, Phys. Rev. B 85, 155454 (2012).

36. Z. Zhao, B. Xu, X. F. Zhou, L. M. Wang, B. Wen, J. He, Z. Liu, H. T. Wang, and Y. Tian*,“Novel superhard carbon: C-centered orthorhombic C₈”, Phys. Rev. Lett. 107, 215502 (2011).

Highlighted by Physorg.com

http://www.physorg.com/news/2011-12-superhard-carbon-material-diamond.html

37. Z. Zhao, B. Xu, L. M. Wang, X. F. Zhou, J. He, Z. Liu, H. T. Wang, and Y. Tian*, “Three Dimensional Carbon-Nanotube Polymers”, ACS Nano 5, 7226 (2011).

Highlighted by http://www.natureasia.com/asia-materials/highlight.php?id=1017

38. Z. Zhao, X. F. Zhou, L. M. Wang, B. Xu, J. He, Z. Liu, H. T. Wang, and Y. Tian*, “Universal Phase Transitions of B₁-Structured Stoichiometric Transition Metal Carbides”, Inorg. Chem. 50, 9266 (2011).

39.  L. Zhang*, X. F. Zhou, H. T. Wang, J. J. Xu, J. Li, E. G. Wang, and S. H. Wei, “Origin of insulating behavior of the p-type LaAlO₃/SrTiO₃ interface: Polarization-induced asymmetric distribution of oxygen vacancies”, Phys. Rev. B 82, 125412 (2010).

40. Z. Liu, X. Han, D. Yu, Y. Sun, B. Xu, X. F. Zhou, J. He, H. T. Wang, and Y. Tian*, “Formation, structure, and electric property of CaB₄ single crystal synthesized under high pressure”, Appl. Phys. Lett. 96, 031903 (2010).

41. Z. Zhao, L. Cui, L. M. Wang, B. Xu, Z. Liu, D. Yu, J. He, X. F. Zhou, H. T. Wang, and Y. Tian*, “Bulk Re₂C: Crystal Structure, Hardness, and Ultra-incompressibility”, Cryst. Growth Des. 10, 5024 (2010).

42. X. Luo, X. F. Zhou, Z. Liu, J. He, B. Xu, D. Yu, H. T. Wang, and Y. Tian*, “Refined crystal structure and mechanical properties of superhard BC₄N crystal: first-principles calculations”, J. Phys. Chem. C 112, 9516 (2008).

43. J. Sun, X. F. Zhou, J. Chen, Y. X. Fan, H. T. Wang*, X. Guo, J. He, and Y. Tian, “Infrared and Raman spectra of beta-BC₂N from first-principles calculations”, Phys. Rev. B74, 193101 (2006).

44. J. Sun, X. F. Zhou, G. R. Qian, J. Chen, Y. X. Fan, H. T. Wang*, X. Guo, J. He, Z. Liu, and Y. Tian, “Chalcopyrite polymorph for superhard BC₂N”, Appl. Phys. Lett. 89, 151911 (2006).

45. J. Sun, X. F. Zhou, Y. X. Fan, J. Chen, H. T. Wang*, X. Guo, J. He, and Y. Tian, “First-principles study of electronic structure and optical properties of heterodiamond BC₂N”, Phys. Rev. B 73, 045108 (2006).

合作单位和人员

燕山大学材料科学与工程学院、亚稳材料制备技术与科学国家重点实验室 田永君教授、何巨龙教授

纽约州立大学石溪分校地球科学系、物理系 Artem R. Oganov 教授

纽约州立大学石溪分校物理系 Philip B. Allen 教授

纽约州立大学石溪分校物理系 Maria V. Fernandez-Serra 教授

布鲁克海文国家实验室化学系 James T. Muckerman 研究员

犹他州立大学化学系 Alexander I. Boldyrev 教授

2017          中国新锐科技卓越影响奖“高压下合成稳定氦钠化合物”

2016          南开大学2015年度十大科技进展项目“硼烯的结构和性质”

2015          天津市“131”创新型人才培养工程第二层次

2014          南开大学“百名青年学科带头人培养计划”

2012          教育部“新世纪优秀人才支持计划”

最近发表或投稿文章 (*通讯作者)

1. X. Dong, Q. S. Wu, O. V. Yazyev, X. L. He, Y. Tian, X. F. Zhou*, and H. T. Wang*, “Condensed matter realization of fermion quasiparticles in Minkowski space”, (已投稿)

2. X. L. He, X. Dong, Q. S. Wu, Z. Zhao, Q. Zhu, A. R. Oganov, Y. Tian, D. Yu, X. F. Zhou*, and H. T. Wang,“Predicting the ground state structure of sodium boride”, Phys. Rev. B 97, 100102 (R) (2018).

Feature as Kaleidoscope https://journals.aps.org/prb/kaleidoscope/prb/97/10/100102

3. X. Dong, A. R. Oganov*, A. F. Goncharov, E. Stavrou,S. Lobanov, G. Saleh, G. R. Qian, Q. Zhu, C. Gatti, V. L. Deringer, R. Dronskowski, X. F. Zhou*, V. B. Prakapenka, Z. Konopková, I. A. Popov, A. I. Boldyrev, and H. T. Wang*, “A stable compound of helium and sodium at high pressure”, Nat. Chem. 9, 440 (2017).

Highlighted by Nature http://www.nature.com/articles/542274b

Highlighted by Nature Chemistry http://www.nature.com/articles/nchem.2768

4. X. L. He, X. J. Weng, Y. Zhang, Z. Zhao, Z. Wang, B. Xu, A. R. Oganov, Y. Tian, X. F. Zhou*, and H. T. Wang, “Two-dimensional boron on Pb (110) surface”, FlatChem7, 34 (2018).

Invited paper for the special issue of 2D boron

5.  A. J. Mannix, X. F. Zhou, B. Kiraly, J. D. Wood, D. Alducin, B. D. Myers, X. Liu, B. L. Fisher, U. Santiago, J. R. Guest, M. J. Yacaman, A. Ponce, A. R. Oganov*, M. C. Hersam*, and N. P. Guisinger*, “Synthesis of Borophenes: Anisotropic, Two-Dimensional Boron Polymorphs”, Science 350, 1513 (2015).

Highlighted by Nature, Science, ScienceDaily, and Physorg.com

6. X. F. Zhou* and H. T. Wang, “Low-dimensional boron: searching for Dirac materials”, Adv. Phys. X 1, 412 (2016). http://www.tandfonline.com/doi/full/10.1080/23746149.2016.1209432

7. X. F. Zhou*, A. R. Oganov, Z. Wang, I. A. Popov, A. I. Boldyrev, and H. T. Wang, “Two-dimensional magnetic boron”, Phys. Rev. B 93, 085406 (2016).

8. X. F. Zhou*, A. R. Oganov, X. Shao, Q. Zhu, and H. T. Wang, “Unexpected Reconstruction of the a-Boron (111) Surface”, Phys. Rev. Lett. 113, 176101 (2014).

Highlighted by ScienceDaily and the Statesman

9. X. F. Zhou*, X. Dong, A. R. Oganov, Q. Zhu, Y. Tian, and H. T. Wang, “Semimetallic Two-Dimensional Boron Allotrope with Massless Dirac Fermions”, Phys. Rev. Lett. 112, 085502 (2014).

Highlighted by Physicsworld, ScienceDaily, and Physorg.com

10. X. F. Zhou*,A. R. Oganov,G. R. Qian, and Q. Zhu, “First-Principles Determination of the Structure of Magnesium Borohydride”, Phys. Rev. Lett.109, 245503 (2012).

Highlighted by ScienceDaily with “Researchers Re-Establish the Structure of Magnesium Borohydride”, and Physorg.com

11. X. F. Zhou, X. Dong, Z. Zhao, A. R. Oganov, Y. Tian, and H. T. Wang*, “High-pressure phases of NaAlH₄ from first principles”, Appl. Phys. Lett. 100, 061905 (2012).

12. X. F. Zhou, A. R. Oganov, X. Dong, L. Zhang, Y. Tian, and H. T. Wang*, “Superconducting high pressure phase of platinum hydride from first principles”, Phys. Rev. B 84, 054543 (2011).

13. X. F. Zhou*, Y. Tian, and H. T. Wang, “Large shear strength enhancement of gamma-boron under normal compression”, J. Superhard Mater. 33, 401 (2011).

Invited paper for the special issue of “Boron and Boron-rich solids: to 5 years of discovery of gamma-boron”.

14. X. F. Zhou, G. R. Qian, X. Dong, L. Zhang, Y. Tian, and H. T. Wang*, “Ab initio study of the formation of transparent carbon under pressure”, Phys. Rev. B 82, 134126 (2010).

Highlighted by Physical Review Focus: http://focus.aps.org/story/v26/st18; 

Also highlighted by NewScientist and Physorg.com.

15. X. F. Zhou, X. Dong, G. R. Qian, L. Zhang, Y. Tian, and H. T. Wang*, “Unusual Compression Behavior of TiO₂ polymorphs from first principles”, Phys. Rev. B 82, 060102 (R) (2010).

16. X. F. Zhou, G. R. Qian, J. Zhou, B. Xu, Y. Tian, and H. T. Wang*, “Crystal structure and stability of magnesium borohydride from first principles”, Phys. Rev. B 79, 212102 (2009).

17. X. F. Zhou, J. Sun, G. R. Qian, X. Guo, Z. Liu, Y. Tian, and H. T. Wang*, “A tetragonal phase of superhard BC₂N”, J. Appl. Phys. 105, 093521 (2009).

18. X. F. Zhou, J. Sun, Y. X. Fan, J. Chen, H. T. Wang*, X. Guo, J. He, and Y. Tian, “Most likely phase of superhard BC₂N by ab initio calculations”, Phys. Rev. B 76, 100101(R) (2007).

19. X. F. Zhou, G. R. Qian, J. Sun, Y. Tian, and H. T. Wang*, “Raman model predicting hardness of covalent crystals”, arXiv: 0912.4942v1.

20. W. Xin, X. K. Li, X. L. He, B. W. Su, X. Q. Jiang, K. X. Huang, X. F. Zhou, Z. B. Liu*, and J. G. Tian*,“Black-phosphorus-based orientation-induced diodes”, Adv. Mater. 30, 1704653 (2018).

21. M. Mahdi Davari Esfahani, Q. Zhu, H. Dong, A. R. Oganov*, S. Wang, M. S. Rakitin, and X. F. Zhou, “Novel magnesium borides and their superconductivity”, Phys.Chem.Chem.Phys. 19, 14486 (2017).

22.  K. Luo, Z. Zhao*, M. Ma, S. Zhang, X. Yuan, G. Gao, X. F. Zhou, J. He, D. Yu, Z. Liu, B. Xu*, and Y. Tian, “Si₁₀: A sp³ Silicon Allotrope with Spirally Connected Si₅ Tetrahedrons”, Chem. Mater. 28, 6441 (2016).

23. H. Wang*, Q. Li*, Y. Gao, F. Miao, X. F. Zhou, and X. G. Wan, “Structure prediction and its applications in computational materials design”, New J. Phys. 18. 073016 (2016).

24. H. Dong*, A. R. Oganov, Q. Wang, S. N. Wang, Z. Wang, J. Zhang, M. D. Esfahani, X. F. Zhou, F. Wu, and Q. Zhu, “Prediction of a new ground state of superhard compound B₆O at ambient conditions”, Sci. Rep. 6, 31288 (2016).

25. Q. Zhu*, A. R. Oganov, Q. Zeng, and X. F. Zhou, “Structure prediction and its applications in computational materials design”, Chem. Model. 12, 219 (2016).

Book chapter published by the Royal Society of Chemistry

26. M. Mahdi Davari Esfahani, Z. Wang, A. R. Oganov*, H. Dong, Q. Zhu, S. Wang, M. S. Rakitin and X. F. Zhou, “Superconductivity of novel tin hydrides (Sn_nH_m) under pressure”, Sci. Rep. 6, 22873 (2016).

27. Z. Wang*, X. F. Zhou, X. Zhang, Q. Zhu, H. Dong, M. Zhao*, and A. R. Oganov*, “Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones”, Nano Lett. 15, 6182 (2015).

28. M. S. Rakitin*, A. R. Oganov*, H. Niu, M. Mahdi Davari Esfahani, X. F. Zhou, G. R. Qian, and V. L. Solozhenko, “A novel phase of beryllium fluoride at high pressure”, Phys. Chem. Chem. Phys.17, 26283 (2015).

29. D. Li*, A. R. Oganov, X. Dong, X. F. Zhou, Q. Zhu, G. R. Qian, and H. Dong, “Nitrogen oxides under pressure: stability, ionization, polymerization, and superconductivity”, Sci. Rep. 5, 16311 (2015).

30. Q. Wang*, A. R. Oganov, Q. Zhu, and X. F. Zhou, “New reconstructions of the (110) surface of rutile TiO₂ predicted by an evolutionary method”, Phys. Rev. Lett.113, 266101 (2014).

31. Q. Zhu, A. R. Oganov*, and X. F. Zhou, “Crystal Structure Prediction and Its Application in Earth and Materials Sciences”, Top Curr Chem. 345, 223 (2014).

Book chapter published by Springer Berlin Heidelberg

32. G. R. Qian*, X. Dong, X. F. Zhou, Y. Tian, A. R. Oganov, and H. T. Wang*,“Variable cell nudged elastic band method for studying solid-solid structural phase transitions”, Comput. Phys. Commun. 184, 2111 (2013).

33. X.Dong, X.F. Zhou, G. R. Qian, Z. Zhao, Y. Tian, and H. T. Wang*, “An ab initio study on the transition paths from graphite to diamond under pressure”, J. Phys. Condens. Matter 25, 145402 (2013).

34. Z. Zhao, X. F. Zhou, M. Hu, D. Yu, J. He, H. T. Wang, Y. Tian, and B. Xu*, “High Pressure Behaviors of Carbon Nanotubes”, J. Superhard Mater. 34, 372 (2012).

35. Y. Feng, F. Li, Z. Hu, X. Luo, L. Zhang*, X. F. Zhou, H. T. Wang, J. J. Xu, and E. G. Wang, “Tuning the catalytic property of nitrogen-doped graphene for cathode oxygen reduction reaction”, Phys. Rev. B 85, 155454 (2012).

36. Z. Zhao, B. Xu, X. F. Zhou, L. M. Wang, B. Wen, J. He, Z. Liu, H. T. Wang, and Y. Tian*,“Novel superhard carbon: C-centered orthorhombic C₈”, Phys. Rev. Lett. 107, 215502 (2011).

Highlighted by Physorg.com

http://www.physorg.com/news/2011-12-superhard-carbon-material-diamond.html

37. Z. Zhao, B. Xu, L. M. Wang, X. F. Zhou, J. He, Z. Liu, H. T. Wang, and Y. Tian*, “Three Dimensional Carbon-Nanotube Polymers”, ACS Nano 5, 7226 (2011).

Highlighted by http://www.natureasia.com/asia-materials/highlight.php?id=1017

38. Z. Zhao, X. F. Zhou, L. M. Wang, B. Xu, J. He, Z. Liu, H. T. Wang, and Y. Tian*, “Universal Phase Transitions of B₁-Structured Stoichiometric Transition Metal Carbides”, Inorg. Chem. 50, 9266 (2011).

39.  L. Zhang*, X. F. Zhou, H. T. Wang, J. J. Xu, J. Li, E. G. Wang, and S. H. Wei, “Origin of insulating behavior of the p-type LaAlO₃/SrTiO₃ interface: Polarization-induced asymmetric distribution of oxygen vacancies”, Phys. Rev. B 82, 125412 (2010).

40. Z. Liu, X. Han, D. Yu, Y. Sun, B. Xu, X. F. Zhou, J. He, H. T. Wang, and Y. Tian*, “Formation, structure, and electric property of CaB₄ single crystal synthesized under high pressure”, Appl. Phys. Lett. 96, 031903 (2010).

41. Z. Zhao, L. Cui, L. M. Wang, B. Xu, Z. Liu, D. Yu, J. He, X. F. Zhou, H. T. Wang, and Y. Tian*, “Bulk Re₂C: Crystal Structure, Hardness, and Ultra-incompressibility”, Cryst. Growth Des. 10, 5024 (2010).

42. X. Luo, X. F. Zhou, Z. Liu, J. He, B. Xu, D. Yu, H. T. Wang, and Y. Tian*, “Refined crystal structure and mechanical properties of superhard BC₄N crystal: first-principles calculations”, J. Phys. Chem. C 112, 9516 (2008).

43. J. Sun, X. F. Zhou, J. Chen, Y. X. Fan, H. T. Wang*, X. Guo, J. He, and Y. Tian, “Infrared and Raman spectra of beta-BC₂N from first-principles calculations”, Phys. Rev. B74, 193101 (2006).

44. J. Sun, X. F. Zhou, G. R. Qian, J. Chen, Y. X. Fan, H. T. Wang*, X. Guo, J. He, Z. Liu, and Y. Tian, “Chalcopyrite polymorph for superhard BC₂N”, Appl. Phys. Lett. 89, 151911 (2006).

45. J. Sun, X. F. Zhou, Y. X. Fan, J. Chen, H. T. Wang*, X. Guo, J. He, and Y. Tian, “First-principles study of electronic structure and optical properties of heterodiamond BC₂N”, Phys. Rev. B 73, 045108 (2006).