Bohayra Mortazavi - Publications, H-index & Citations

Bohayra Mortazavi

Leibniz Universität Hannover

60H指数

254论文数

1.1W被引数

收录论文 58

发表时间

First-Principles Insights into Recently Synthesized α′–B8H4 Hydrogenated Borophene: A Stable Semiconducting Monolayer for UV Photodetection and Optoelectronic Applications 基于第一性原理对最近合成的α′–B8H4氢化硼烯的见解：一种用于紫外光电探测和光电器件应用的稳定半导体单层材料

Materials

IF3.2

2026-02-28

OAAI

Bohayra Mortazavi; Masoud Shahrokhi; Fazel Shojaei; Xiaoying Zhuang

Hetero[8]circulene-Based 2D Materials: A DFT Study of Electronic; Mechanical; and Transport Properties

ACS Applied Energy Materials

IF5.5

2026-01-30

PREAI

Zahra Rastipour; Masoud Shahrokhi; Fazel Shojaei; Xiaoying Zhuang; Bohayra Mortazavi

Machine learning-assisted first-principles study of structural, electronic, optical, thermal, and mechanical properties of novel s-triazine-based organic framework monolayers 机器学习辅助的第一性原理研究：新型s-三嗪基有机骨架单层材料的结构、电子、光学、热学和力学性质

Carbon

IF11.6

2025-11-24

OAAI

Bohayra Mortazavi; Fazel Shojaei; Masoud Shahrokhi; Xiaoying Zhuang

Microstructural transformation for robust and high-efficiency Zintl thermoelectrics Zintl热电材料的微观结构转变以实现高鲁棒性和高效率

Nature Communications

IF15.7

2025-08-15

OAAI

Meng Jiang; Qinghua Zhang; Siyuan Zhang; Ming Liu; Yuntian Fu; Zhiyuan Zhang; Xin Ai; Bohayra Mortazavi; Lianjun Wang; Qihao Zhang; Denys Makarov; Wan Jiang

Accurate estimation of interfacial thermal conductance between silicon and diamond enabled by a machine learning interatomic potential 通过机器学习型原子间势能实现了对硅与金刚石之间界面热导的精确估计

INTERNATIONAL JOURNAL OF THERMAL SCIENCES

IF5

2025-06-19

OAAI

Rajabpour, Ali; Mortazavi, Bohayra; Mirchi, Pedram; El Hajj, Julien; Guo, Yangyu; Zhuang, Xiaoying; Merabia, Samy

Hierarchical multiscale fracture modeling of carbon-nitride nanosheet reinforced composites by combining cohesive phase-field and molecular dynamics

COMPOSITE STRUCTURES

IF7.1

2025-03-01

OAAI

Zhang, Qinghua; Valizadeh, Navid; Liu, Mingpeng; Zhuang, Xiaoying; Mortazavi, Bohayra

Mechanical Properties of Nanoporous Graphenes: Transferability of Graph Machine-Learned Force Fields Compared to Local and Reactive Potentials 纳米多孔石墨烯的机械性能: 与局部和反应电势相比，图形机器学习力场的可转移性

ADVANCED FUNCTIONAL MATERIALS

IF19

2024-12-15

OAAI

Kabylda, Adil; Mortazavi, Bohayra; Zhuang, Xiaoying; Tkatchenko, Alexandre

Hexagonal boron-carbon fullerene heterostructures; Stable two-dimensional semiconductors with remarkable stiffness, low thermal conductivity and flat bands

MATERIALS TODAY COMMUNICATIONS

IF4.5

2023-08-01

OAAI

Mortazavi, Bohayra; Remond, Yves; Fang, Hongyuan; Rabczuk, Timon; Zhuang, Xiaoying

A novel two-dimensional C36 fullerene network; an isotropic, auxetic semiconductor with low thermal conductivity and remarkable stiffness

MATERIALS TODAY NANO

IF8.2

2023-03-01

PREAI

Mortazavi, B.; Shojaei, F.; Zhuang, X.

Atomistic modeling of the mechanical properties: the rise of machine learning interatomic potentials

MATERIALS HORIZONS

IF10.7

2023-01-01

OAAI

Mortazavi, Bohayra; Zhuang, Xiaoying; Rabczuk, Timon; Shapeev, Alexander V.

Anisotropic and outstanding mechanical, thermal conduction, optical, and piezoelectric responses in a novel semiconducting BCN monolayer confirmed by first-principles and machine learning

CARBON

IF11.6

2022-11-01

OAAI

Mortazavi, Bohayra; Shojaei, Fazel; Yagmurcukardes, Mehmet; V. Shapeev, Alexander; Zhuang, Xiaoying

Electronic, Optical, Mechanical and Li-Ion Storage Properties of Novel Benzotrithiophene-Based Graphdiyne Monolayers Explored by First Principles and Machine Learning

BATTERIES-BASEL

IF4.8

2022-10-19

OAAI

Mortazavi, Bohayra; Shojaei, Fazel; Shahrokhi, Masoud; Rabczuk, Timon; Shapeev, Alexander, V; Zhuang, Xiaoying

Optical and thermoelectric properties of non-Janus CuI and AgI, and Janus Cu2BrI and Ag2BrI monolayers by many-body perturbation theory

PHYSICAL REVIEW B

IF3.7

2022-09-07

OAAI

Mohebpour, Mohammad Ali; Mortazavi, Bohayra; Zhuang, Xiaoying; Tagani, Meysam Bagheri

Machine-Learning-Based Exploration of Bending Flexoelectricity in Novel 2D Van der Waals Bilayers

ADVANCED ENERGY MATERIALS

IF26

2022-07-21

OAAI

Javvaji, Brahmanandam; Zhuang, Xiaoying; Rabczuk, Timon; Mortazavi, Bohayra

A combined first-principles and machine-learning investigation on the stability, electronic, optical, and mechanical properties of novel C6N7-based nanoporous carbon nitrides

CARBON

IF11.6

2022-07-01

PREAI

Mortazavi, Bohayra; Shojaei, Fazel; Shapeev, Alexander V.; Zhuang, Xiaoying

Mechanical, optical, and thermoelectric properties of semiconducting ZnIn2X4 (X = S, Se, Te) monolayers

PHYSICAL REVIEW B

IF3.7

2022-04-27

PREAI

Mohebpour, Mohammad Ali; Mortazavi, Bohayra; Rabczuk, Timon; Zhuang, Xiaoying; Shapeev, Alexander, V; Tagani, Meysam Bagheri

A machine-learning-based investigation on the mechanical/failure response and thermal conductivity of semiconducting BC2N monolayers

CARBON

IF11.6

2022-03-01

PREAI

Mortazavi, Bohayra; Novikov, Ivan S.; Shapeev, Alexander V.

Intelligent on-demand design of phononic metamaterials 声子超材料的智能按需设计

NANOPHOTONICS

IF6.6

2022-01-04

104

OAAI

Jin, Yabin; He, Liangshu; Wen, Zhihui; Mortazavi, Bohayra; Guo, Hongwei; Torrent, Daniel; Djafari-Rouhani, Bahram; Rabczuk, Timon; Zhuang, Xiaoying; Li, Yan

Mechanical, thermal transport, electronic and photocatalytic properties of penta-PdPS, -PdPSe and -PdPTe monolayers explored by first-principles calculations

JOURNAL OF MATERIALS CHEMISTRY C

IF5.1

2022-01-01

PREAI

Mortazavi, Bohayra; Shahrokhi, Masoud; Zhuang, Xiaoying; Rabczuk, Timon; Shapeev, Alexander, V

Exploring thermal expansion of carbon-based nanosheets by machine-learning interatomic potentials

CARBON

IF11.6

2022-01-01

OAAI

Mortazavi, Bohayra; Rajabpour, Ali; Zhuang, Xiaoying; Rabczuk, Timon; Shapeev, Alexander, V

研究方向