【个人简介】
性 别 男
出生日期
学 历 博士
职 称 教授 ( 博导 [聘任于2011-05])
学术身份
行政职务
学术团体兼职 中国化学会化学动力学专业委员会委员
研究类别 物理化学 ::
工作单位 理论化学研究所 ::
电 话
传 真
地 址 山东省济南市山大南路27号山东大学化学与化工学院 250100
E-mail myc@sdu.edu.cn



【学习及工作经历】
1993-1997 山东大学物理系 学士学位
1997-2002 山东大学光学系 博士学位
2002-2005 Laboratory of Physics, Hesinki University of Technology, Finland 博士后
2005-2011 Departmentof Physics, University of Osnabrueck,Germany 博士后

【主讲课程】 计算化学（化学院本科生）
科研方法论（物理学院本科生，2013年 — 2015年）



【研究领域和兴趣】
利用多体格林函数理论（在物理学界通常称作多体微扰理论，主要包括GW方法和Bethe-Salpeter方程）研究晶体、团簇、分子、界面等的准粒子能级、光学特性、激发态动力学、能量传递等。包括计算方法和计算程序的开发与应用。
[ GW方法和Bethe-Salpeter方程能够以非常高的精度计算准粒子（电子、空穴）和激子的性质。]
目前的研究重点：
（1）复杂体系多体格林函数理论计算方法和程序的开发；
（2）激发态作用力和激发态动力学计算方法和程序的开发；
（3）有机、无机太阳能电池材料、光解水催化材料等典型体系光化学、光物理动力学过程的研究。

【主要论著】
在Nature Commun.、Phys. Rev. Lett.、Phys. Rev. B、J. Chem. Phys.、J. Chem. Theory Comput.、Phys. Chem. Chem. Phys.、J. Phys. Chem. C等国际学术期刊上发表论文50余篇，他引1600余次。
代表性论文：
[49] Where do photogenerated holes at the g-C3N4/water interface go for water splitting: H2O or OH-?
H. Z. Ma, J. Feng, F. Jin, M. Wei, C. B. Liu and Y. C. Ma
Nanoscale 10, 15624 (2018)

[48] Variation of optical spectra of water clusters with size from many-body Green's function theory
M. Wei, F. Jin, T. W. Chen and Y. C. Ma
J. Chem. Phys. 148, 224302 (2018)

[47] Mediating both valence and conduction bands of TiO2 by anionic dopants for visible- and infrared-light photocatalysis
T. W. Chen, G. K. Liu, F. Jin, M. Wei, J. Feng and Y. C. Ma
Phys. Chem. Chem. Phys. 20, 12785 (2018)

[46] Passivated codoping can improve the solar-to-hydrogen efficiency of graphitic carbon nitride
J. Feng, H. Z. Ma, T. W. Chen, C. B. Liu and Y. C. Ma
J. Phys. Chem. C 122, 7296 (2018)

[45] Quasiparticle band structures of defects in anatase TiO2 bulk
T. W. Chen, Y. N. Hao and Y. C. Ma
Chin. J. Chem. Phys. 30, 771 (2017)

[44]Giant piezoelectric effects in monolayer group?V binary compoundswith honeycomb phases: A first-principles prediction
H. B. Yin, J. W. Gao, G. P. Zheng, Y. X. Wang and Y. C. Ma
J. Phys. Chem. C 121, 25576 (2017)

[43]Enhanced piezoelectricity of monolayerphosphorene oxides: a theoretical study
H. B. Yin, G. P. Zheng, J. W. Gao, Y. X. Wang and Y. C. Ma
Phys. Chem. Chem. Phys. 19, 27508 (2017)

[42] Novel carbon nanotubes rolled from 6,6,12-graphyne: Double Dirac points in 1D material
D. C. Yang, R. Jia, Y. Wang, C. P. Kong, J. Wang, Y. C. Ma, R. I. Eglitis and H. X. Zhang
J. Phys. Chem. C 121, 14835 (2017)

[41] The mechanism for the formation of OH radicals in condensed-phase water under ultraviolet irradiation
F. Jin, M. Wei, C. B. Liu and Y. C. Ma
Phys. Chem. Chem. Phys. 19, 21453 (2017)

[40] A new energy transfer channel from carotenoids to chlorophylls in purple bacteria
J. Feng, C. W. Tseng, T. W. Chen, X. Leng, H. B. Yin, Y. C. Cheng, M. Rohlfing and Y. C. Ma
Nature Commun. 8, 71 (2017)

[39] Electronic structures of rutile (011)(2X1) surfaces: A many-body perturbation theory study
G. K. Liu, T. W. Chen, X. B. Liu, F. Jin, S. L. Yuan and Y. C. Ma
J. Chem. Phys. 146, 124702 (2017)

[38] Influence of functional groups on water splitting in carbon nanodot and graphitic carbon nitride composites: a theoretical mechanism study
J. Feng, G. K. Liu, S. L. Yuan and Y. C. Ma
Phys. Chem. Chem. Phys. 19, 4997 (2017)

[37] 多体格林函数方法
马玉臣，刘成卜
《中国学科发展战略 —— 理论与计算化学》 第九章，科学出版社(2016)
[36] Optical properties of acene molecules and pentacene crystal from many-body Green's function method
X. Leng, J. Feng, T. W. Chen, C. B. Liu and Y. C. Ma
Phys. Chem. Chem. Phys. 18, 30777 (2016)
[35] GW method and Bethe-Salpeter equation for calculating electronic excitations
X. Leng, F. Jin, M. Wei and Y. C. Ma
WIREs Comput. Mol. Sci. 6, 532 (2016)(invited review)

[34] Enhancing the cycling stability of Na-ion batteries by bonding SnS2 ultrafine nanocrystals on amino-functionalize graphene hybrid nanosheets
Y. Jiang, M. Wei, J. K. Feng, Y. C. Ma and S. L. Xiong
Energy Environ. Sci. 9, 1430 (2016)

[33] Structures and photoelectric properties of five benzotrithiophene isomers-based donor-acceptor copolymers
N. Cheng, Y. C. Ma, Y. J. Liu, C. Q. Zhang and C. B . Liu
Spectrochim. Acta A 159, 262 (2016)

[32] Photocatalytic properties of g-C6N6/g-C3N4 heterostructure: A theoretical study
D. M. Liang, T. Jing, Y. C. Ma, J. X. Hao, G. Y. Sun and M. S. Deng
J. Phys. Chem. C 120, 24023 (2016)

[32] Electronic and optical properties of B- and/or In-doped GaAs calculated using many-body Green's function theory
D. M. Liang, X. Leng and Y. C. Ma
Chem. Res. Chin. Univ. 32, 996 (2016)

[31] Quasiparticle band structures and optical properties of graphitic carbon nitrides
D. M. Liang, X. Leng and Y. C. Ma
Acta Phys. Chim. Sin. 32, 1967 (2016)

[30] 多体格林函数方法对g-CN激发态特性的研究
梁冬梅，冷霞，马玉臣
中国科学：化学 46, 126 (2016)

[29] Excitons and Davydov splitting in sexithiophene from first-principles many-body Green function theory
X. Leng, H. B. Yin, D. M. Liang and Y. C. Ma
J. Chem. Phys. 143, 114501 (2015)

[28]Charge-transfer excited states in aqueous DNA: Insights from many-body Green function theory
H. B. Yin, Y. C. Ma,J. L. Mu,C. B. LiuandM. Rohlfing
Phys. Rev. Lett.112, 228301 (2014)
[27]Quasiparticle electronic structure and optical absorption of diamond nanoparticles from ab initio many-body perturbation theory
H. B. Yin, Y. C. Ma,X. T. Hao, J. L. Mu,C. B. LiuandZ. J. Yi
J. Chem. Phys.140, 214315 (2014)
[26]Photoluminescence of single-walled carbon nanotubes: The role of Stokes shift and impurity levels
J. L. Mu, Y. C. Ma, H. B. Yin, C. B. LiuandM. Rohlfing
Phys. Rev. Lett. 111, 137401(2013)

[25]研究激发态的多体格林函数理论
马玉臣，刘成卜
化学进展 24, 981 (2012)（综述, 量子化学专辑）
[24]Excited states of dicyanovinyl-substituted oligothiophenes from many-body Green functions theory
B. Baumeier, D. Andrienko, Y. C. Ma andM. Rohlfing
J. Chem.Theory Comput. 8, 997(2012)
[23] Silicon Donors at the GaAs(110) surface: A first principles study
Z. Yi, Y. C. Ma andM. Rohlfing
J. Phys. Chem. C 115, 23455 (2011)
[22] Excited states of the negatively charged nitrogen-vacancy color center in diamond
Y. C. Ma, M. Rohlfing and A. Gali
Phys. Rev. B 81, 041204 (Rapid Communication) (2010)
[21] Modeling the excited states of biological chromophores within many-body Green function Theory
Y. C. Ma, M. Rohlfing and C. Molteni
J. Chem. Theory Comput. 6, 257 (2010)
[20] Quasiparticle band structures and lifetimes in noble metals using Gaussian orbital basis sets
Z. J. Yi, Y. C. Ma, M. Rohlfing, V. M. Silkin and E. V. Chulkov
Phys. Rev. B 81, 125125 (2010)
[19] Diabatic states of a photoexcited retinal chromophore from ab initio many-body perturbation theory
M. S. Kaczmarski, Y. C. Ma and M. Rohlfing
Phys. Rev. B 81, 115433 (2010)
[18] Excited states of biological chromophores studied using many-body perturbation theory: Effects of resonant-antiresonant coupling and dynamical screening
Y. C. Ma, M. Rohlfing and C. Molteni
Phys. Rev. B 80, 241405 (Rapid Communication) (2009)
[17] Optical excitation of deep defect levels in insulators within many-body perturbation theory: The F center in calcium fluoride
Y. C. Ma and M. Rohlfing
Phys. Rev. B 77, 115118 (2008)
[16] Simulation of interstitial diffusion in graphite
Y. C. Ma
Phys. Rev. B 76, 075419 (2007)
[15]Quasiparticle band structure and optical spectrum of CaF2
Y. C. Ma and M. Rohlfing
Phys. Rev. B 75, 205114 (2007)
[14]Defect-induced spin deterioration of La0.64Sr0.36MnO3: Ab initio study
K. P. Wang, Y. C. Ma andK. Betzler
Phys. Rev. B 76, 144431(2007)
[13] Reactions and clustering of water with silica surface
Y. C. Ma, A. S. Foster and R.M. Nieminen
J. Chem. Phys. 122, 144709 (2005)
[12] Hydrogen-induced magnetism in carbon nanotubes
Y. C. Ma, P. O. Lehtinen, A. S. Foster and R. M. Nieminen
Phys. Rev. B 72, 085451 (2005)
[11] Nitrogen in graphite and carbon nanotubes: Magnetism and mobility
Y. C. Ma, A. S. Foster, A. V. Krasheninnikov and R. M. Nieminen
Phys. Rev. B 72, 205416 (2005).
[10] B and N ion implantation into carbon nanotubes: Insight from atomistic simulations
J. Kotakoski, A. V. Krasheninnikov, Y. C. Ma, A. S. Foster, K. Nordlund andR. M. Nieminen
Phys. Rev. B 71, 205408 (2005)
[9] Magnetic properties of vacancies in graphene and single-walled carbon nanotubes
Y. C. Ma, P. O. Lehtinen, A. S. Foster and R. M. Nieminen
New J. Phys. 6, 68 (2004).
[8] Irradiation-induced magnetism in graphite: A density functional study
P. O. Lehtinen, A. S. Foster, Y. C. Ma, A. V. Krasheninnikov, and R. M. Nieminen
Phys. Rev. Lett. 93, 187202 (2004).
[7] Condensation and phase transition of hydrogen molecules confined in single-walled carbon nanotubes
Y. Y. Xia, M. W. Zhao, Y. C. Ma, X. D. Liu, M. J. Ying and L. M. Mei
Phys. Rev. B 67, 115117 (2003).
[6] Hydrogen storage capacity in single-walled carbon nanotubes
Y. C. Ma, Y. Y. Xia, M. W. Zhao, M. J. Ying
Phys. Rev. B 65, 155430 (2002).
[5] Tensile strength of single-walled carbon nanotubes with defects under hydrostatic pressure
Y. Y. Xia, M. W. Zhao, Y. C. Ma, M. J. Ying, X. D. Liu, P. J. Liu and L. M. Mei
Phys. Rev. B 65, 155415 (2002).
[4] Exohedral and endohedral adsorption of nitrogen on the sidewall of single-walledcarbon nanotubes
M. W. Zhao, Y. Y. Xia, Y. C. Ma, M. J. Ying, X. D. Liu and L. M. Mei
Phys. Rev B 66, 155403 (2002).
[3] Collision of Hydrogen Atom With Single-walled Carbon Nanotube: Adsorption,Insertion, and Healing
Y. C. Ma, Y. Y. Xia, M. W. Zhao, M. J. Ying, X. D. Liu and P. J. Liu
J. Chem. Phys. 115, 8152 (2001).
[2] Effective Hydrogen-storage in Single-wall Carbon Nanotube
Y. C. Ma, Y. Y. Xia, M. W. Zhao, R. J. Wang and L. M. Mei
Phys. Rev. B 63, 115422 (2001).
[1] Growth and defects formation of single-walled carbon nanotubes
Y. Y. Xia, Y. C. Ma, Y. L. Xing, Y. G. Mu, C. Y. Tan and L. M. Mei
Phys. Rev. B 61, 11088 (2000).



【科研项目】9. 国家自然科学基金重点项目（负责人）（2019-2023）

8. 山东省自然科学****基金（负责人）（2016-2019）
7. 国家自然科学基金面上项目（负责人）（2016-2019）

6. 国家自然科学基金重点项目（第一参与人）（2015-2019）
5. 教育部留学回国人员科研启动基金（负责人）（2014）
4. 北京邮电大学信息光子学与光通信国家重点实验室开放课题（负责人）（2013-2015）
3. 山东省优秀中青年科学家科研奖励基金（负责人）（2012-2014）
2. 国家自然科学基金面上项目（负责人）（2012-2015）
1. 山东大学"985"工程引进人才科研启动经费（负责人）（2011-2016）

【科研成果】





【所获专利】





【联合培养情况】





【拟招收研究生情况】
招收硕士生，博士生，博士后。