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D.-B. Zhang*, J.-G. Li, Y.-H.Ren and T. Sun*,Green-Kubo Formalism for Thermal Conductivity with Slater-Koster Tight-Binding(under review)
Y.-X. Wang, J.-G. Li, G. Seifert, K. Chang* and D.-B.Zhang*,Insulator-to-Metal Transition Induced Giant Flexoelectricity in Semiconductor (underreview)
J.-G. Li, H.-Q. Song, G. Seifert, D.-B.Zhang*,Programmable Repulsive Potential for Tight-Binding from Chen-M?bius InversionTheorem (under review)
J.-K Tang, Y.-X. Wang, K. Chang*, and D.-B.Zhang*,Polarization due to emergent polarity in elemental semiconductor thinfilms underbending, J. Phys.: Condens. Matter 51, 015501 (2023).
王娅巽, 郭迪, 李建高, 张东波*. 低维材料物性的非均匀应变调控. 物理学报, 2022, 71(12) 【邀请综述】【当期优秀论文】
Zhen Zhang,Dong-Bo Zhang,Tao Sun, and Renata M. Wentzcovitch, The PhononQuasiparticle Approach for Anharmonic Properties of Solids, Journal of Physics:Conference Series 2207 012042 (2022).
Zhen Zhang,Dong-Bo Zhang,Kotaro Onga,Akira Hasegawa,Kenji Ohta,Kei Hirose,and Renata M. Wentzcovitch, Thermal conductivity ofCaSiO3 perovskite at lower mantle conditions, Physical Review B, 104,184101 (2021)
Ni Ma, Fan Li, Jian-Gao Li, XinLiu, Dong-Bo Zhang, Yan-Yan Li, Ling Chen,and Li-Ming Wu, Mixed-Valence CsCu4Se3: Large Phonon Anharmonicity Drivenby the Hierarchy of the Rigid [(Cu+)4(Se2?)2](Se?) Double Anti-CaF2 Layer and the Soft Cs+ Sublattice, Journal of American Chemistry Society, 143, 18490–18501 (2021).
Jun Chen, Jiangao Li, Ling Sun, Zhong Lin, Zhengguang Hu, Hongtao Zhang,Xiaoling Wu,Dong-Bo Zhang, Guoan Cheng, Ruiting Zheng, Tunable oxygen defect density and location for enhancement of energy Storage, Journal of Energy Chemistry 59 736–747(2021).
Xing-Ju Zhao, Yang Yang, Dong-BoZhang* and Su-Huai Wei*, Flat bands in twisted bilayers of polar two-dimensionalsemiconductors, Physical Review Materials 5, 014007 (2021).
Yong Lu*,Fa-wei Zheng,Yu Yang,Ping Zhang,and Dong-BoZhang*, Dynamic stabilizationand heat transport characteristics of monolayer SnSe at finite temperature: Astudy by phonon quasiparticle approach, Physical Review B 103, 014304 (2021).
张东波*；魏苏淮*，广义布洛赫方法的应用: 低维材料物性的非均匀应变调控，科学通报 66 (2021）[邀请综述]
Zhao Liu and Dong-Bo Zhang*, Type-II BandAlignment in Single Crystalline TiO2 Nanowires under Twisting, ElectronicStructure 2, 044001 (2020) [Invited paper for the special issue of EmergingLeaders 2020].
Zhao Liu, Xue-Wen Fu, and Dong-Bo Zhang*,Strain gradient induced spatially indirect excitonsin single crystalline ZnO nanowires, Nanoscale 12, 19083 (2020).
J.-L.Shi, Y. Wang, X.-J. Zhao, Y.-Z. Zhang, S. Yuan, S.-H. Wei* and D.-B. Zhang*, StrainInduced Spin-splitting and Half-metallicity in Antiferromagnetic BilayerSilicene under Bending, Physical Chemistry Chemical Physics, 22,11567 (2020).
J-.L. Shi, X.-J. Zhao, G. Seifert, S.-H.Wei*,and D.-B. Zhang*, Unconventional deformation potential andhalf metallicity in zigzag nanoribbons of 2D-Xenes, Physical ChemistryChemical Physics, 22, 7294 (2020).
X.-J. Zhao, Yang Yang, Dong-Bo Zhang* and Su-Huai Wei*, Formationof Bloch Flat Bands in Polar Twisted Bilayers without Magic Angles, PhysicalReview Letters, 124, 086401 (2020).
Zhao Liu, Chi-Yung Yam, Shiwu Gao*, Tao Sun, and Dong-BoZhang*, Lattice Dynamics of DeformedQuasi-One Dimensional Crystals under Generalized Born-von Karman Boundary Conditions,New Journal Physics 22, 023004 (2020).
X.-J. Zhao, G. Seifert, J. Zhu* and D.-B. Zhang*,Twist-inducedpreferential distribution of dopants in single-crystalline Si nanowires, PhysicalReview B 100, 174202 (2019)
Zhen Zhang, Dong-Bo Zhang*, Tao Sun, and Renata M. Wentzcovitch*, phq: a Fortran code to computephonon quasiparticle properties and dispersions, Computer Physics Communications243, 110 (2019).
Yong Lu*, Fa-wei Zheng, Yu Wang, PingZhang, and Dong-Bo Zhang*, Phase Stabilities of Cmcm and Pnma SnSe Studiedby Phonon Quasiparticle Approach, PhysicalReview B 100, 054304 (2019).
Zhao Liu, Dong-Bo Zhang*, Gotthard Seifert, YingLiu and Kai Chang*, Interfacial Landau levelsin Bent Graphene Racetracks, PhysicalReview B 99, 165416 (2019)
Hong-Quan Song, Zhao Liu and Dong-Bo Zhang*,Interlayer Vibration of Twisted Bilayer Graphene: A First-Principles Study,PhysicsLetters A 383, 2628 (2019)
Dong-BoZhang*, Xing-Ju Zhao,Gotthard Seifert, Kaifai Tse, and Junyi Zhu*, Shear-Driven Separation of n-type and p-typeDopants in Single Crystalline Nanowires, National Science Review6, 532 (2019) See also “A new strategy offabricating p-n junction in single crystalline Si nanowires, twisting” at https://www.eurekalert.org/pub_releases/2019-03/scp-ans032019.php“PN结的长生之道” at https://sciencesources.eurekalert.org/pub_releases_ml/2019-03/scp-u032019.php.
Yong Lu, Tao Sun, and Dong-Bo Zhang*,Lattice Anharmonicity, Phonon Dispersion, and Thermal Conductivity of PbTeStudied by the Phonon Quasiparticle Approach, Physical Review B97, 174304 (2018).
Dong-BoZhang, P. B. Allen, T. Sun and R. M. Wentzcovitch, Thermal Conductivity of MgSiO3with Sublattice Mean Free Path, PhysicalReview B [Rapid Communication], 96,100302 (2017).
Yue Ling, Gotthard Seifert, Kai Changand Dong-Bo Zhang,* Effective Zeeman Splitting in BentGraphene/Hexagonal Boron Nitride Lateral Heterojunctions: A New Mechanismtowards Half-Metallicity, PhysicalReview B [Rapid Communication], 96, 201403 (2017).
Dong-BoZhang* and Su-Huai Wei*, Realizing Half-Metallicity in Zigzag GrapheneNanoribbon by Bending: A Mechanism Studied by Generalized Bloch Theorem, npj Computational Materials 3, 32 (2017).
N. Ghaderi, Dong-Bo Zhang, H. Zhang, J. Xian, R. Wentzcovitch, and T. Sun, LatticeThermal Conductivity of MgSiO3 Perovskite from First Principles, Scientific Reports, 7, 5417(2017).
Y. Lu, T. Sun, Ping Zhang, P. Zhang, Dong-Bo Zhang,*and R. M. Wentzcovitch, Pre-melting hcp to bcc Transition in Beryllium, Physical Review Letters 118,145702 (2017).
Y. Lu, F. Zheng, P. Zhang, X. Shao, and Dong-Bo Zhang, Temperature and isotopeeffects on the thermoelectric properties in SnTe, Journal of Physics: Condensed Matter, 29, 175701 (2017).
Jiang Zeng, Wei Chen, Ping Cui, Dong-Bo Zhang,*and Zhenyu Zhang*, Enhanced Half-Metallicity inOrientationally Misaligned Graphene/Hexagonal BoronNitride Lateral Heterojunctions,Physical Review B 94, 235425 (2016).
Hong-Man Ma, Jing Wang, Hui-Yan Zhao, Dong-Bo Zhang, Ying Liu, Structural predictionfor scandium carbide monolayer sheet, ChemicalPhysics Letters 660 238 (2016).
Dong Zhang, Dong-Bo Zhang*, Fuhua Yang, Hai-QingLin, Hongqi Xu and Kai Chang*, Interface engineeringof electronic properties of graphene/boron nitride lateral heterostructures, 2D Materials 2, 041001 (2015).
Hui-Yan Zhao, Jing Wang, Xiu-Jie Su, Dong-Bo Zhang, and Ying Liu, IceCarbons,Journal of Physical Chemistry C 118, 27502 (2014).
Dong-BoZhang, T. Sun and R.M. Wentzcovitch, Phonon Quasiparticles andAnharmonic Free Energy in Complex Systems, PhysicalReview Letters 112, 058501 (2014).
Dong-BoZhang, G. Seifert and Kai Chang, Strain-Induced Pseudo-MagneticFields in Twisted Graphene Nanoribbons, PhysicalReview Letters, 112, 096805 (2014).
Sun, Tao, Dong-Bo Zhang, and Renata M. Wentzcovitch. 2014. Dynamic stabilizationof cubic CaSiO3 perovskite at high temperatures and pressures fromab initio molecular dynamics, Physical Review B89, 094109 (2014).
Dong-BoZhang and T. Dumitrica, Role of effective tensile strain inelectromechanical response of helical graphene nanoribbons with open and closedarmchair edges, Physical Review B 85, 035445 (2012).
L. Hale, Dong-Bo Zhang, X. Zhou, J.A. Zimmerman, N.R. Moody, T. Dumitrica, R.Ballarini, and W.W. Gerberich, Dislocation Morphology and Nucleation Within MDCompressed Si Nanospheres, Computational MaterialsScience 54, 280 (2012).
A. Mittal, Dong-Bo Zhang, C. Teresi, A. Mkhoyan, and T. Dumitrica, Routes toidentification of intrinsic twist in helical MoS2 nanotubes by electron di_ractionand annular dark-field scanning transmission electron microscopy imaging, Physical Review B 84, 153401 (2011).
Dong-BoZhang, E. Akatyeva, and T. Dumitrica, Single Walled BN and ZnONanotubes with Intrinsic Twist: An Objective Molecular Dynamics Study, Physical Review B 106, 255503 (2011).
Dong-BoZhang, E. Akatyeva, and T. Dumitrica, Bending Ultra-Thin Grapheneat the Margins of Continuum Mechanics, PhysicalReview Letters 106, 255503 (2011).
Dong-BoZhang and T. Dumitrica, An Effective Tensional Strain View onthe Bandgap Tunability of Helical Graphene Nanoribbons with Open and Closed Edges,Small 7, 1023 (2011).
Dong-BoZhang and T. Dumitrica, The Role of Peierls-Like Distortionsin the Modification of Electronic Bandgaps of Graphene Nanoribbons UnderStrain, Journal of Chemical Physics, 134, 196101 (2011).
D. Teich, T. Lorenz, J. Joswig, G.Seifert, Dong-Bo Zhang and T. Dumitrica,Intrinsic Twist in Helical TiS2 Nanotubes Studied with Objective MolecularDynamics, Journal of Physical Chemistry C115, 6392 (2011).
I. Nikiforov, Dong-Bo Zhang and T. Dumitrica, Screw Dislocations in <100>SiliconNanowires: An Objective Molecular Dynamics Study, Journal of Physicl Chemistry Letters, 2, 2544 (2011).
Dong-BoZhang and T. Dumitrica, Effective Strain in Helical RippledCarbon Nanotubes: A Unifying Concept for Understanding Electromechanical Response, ACS Nano, 4, 6966 (2010).
Dong-BoZhang, T. Dumitrica and G. Seifert, Helical Nanotube Structuresof MoS2 with Intrinsic Twisting: An Objective Molecular DynamicsStudy, Physical Review Letters 104, 065502 (2010).
I. Nikiforov, Dong-Bo Zhang, R.D. James, and T. Dumitrica, Wavelike rippling inmultiwalled carbon nanotubes under pure bending, Applied Physics Letters 96,123107 (2010).
Dong-BoZhang and T. Dumitrica, Modulating the optical and electronicproperties of highly symmetric Si quantum dots, Nanotechnology 20, 445401(2009).
Dong-BoZhang, R.D. James, and T. Dumitrica, Electromechanical characterizationof carbon nanotubes in torsion via symmetry adapted tight-binding objectivemolecular dynamics, Physical Review B80, 115418 (2009).
Dong-BoZhang, R.D. James, and T. Dumitrica, Dislocation onset andnearly axial glide in carbon nanotubes under torsion, Journal of Chemical Physics [Communication] 130, 071101 (2009).
Dong-BoZhang and T. Dumitrica, Elasticity of Ideal Single-WalledCarbon Nanotubes via Symmetry-Adapted Tight-Binding Objective Modeling, Applied Physics Letters 93, 031919 (2008).
Dong-BoZhang, M. Hua, and T. Dumitrica, Stability of Polycrystallineand Wurtzite Si Nanowires via Symmetry-Adapted Tight-Binding ObjectiveMolecular Dynamics, Journal of ChemicalPhysics 128, 084104 (2008).
S.G. Hao, Dong-Bo Zhang, and T. Dumitrica, Effect of Small Shape Changes onthe Optical Response of Highly Symmetric Silicon Quantum Dots, Physical Review B [Rapid Comm.] 76, 081305 (2007).
Dong-BoZhang*, J. Shen, andN.-X. Chen, First principles study of the carbon- (silicon-) doped La13clusters, Journal of Chemical Physics122, 114305 (2005).
Dong-BoZhang*, J. Shen, andN.-X. Chen, Continuation calculations of boron- (aluminum-, titanium-, andnickel-) doped La13 clusters, Journalof Chemical Physics 123, 154313(2005).
Dong-BoZhang* and J. Shen,First principles study of the stability and electronic structure of theicosahedral La13, La?113 , and La+113clusters, Journal of Chemical Physics120, 5081 (2004).
Dong-BoZhang* and J. Shen, Groundstate, growth, and electronic properties of small lanthanum clusters, Journal of Chemical Physics 120, 5104 (2004).
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