Keke Song

First Affiliated Hospital of Xi'an Jiaotong University

Author Statistics

Papers

Citation

H-Index

i-10 index

Research Trends

Author Order

Document Type

Co-Authors

Ping Qian

Capital Institute of Pediatrics

Yanjing Su

University of Science and Technology Beijing

Yifei Wang

Fujian Institute of Research on the Structure of Matter

Xiaotong Li

Northeast Electric Power University

Baokai Ren

Beijing Information Science & Technology University

Chunqian Zhang

Beijing Information Science & Technology University

Xiao‐Xu Wang

Northwestern Polytechnical University

Junming Li

Huazhong University of Science and Technology

Haikuan Dong

Bohai University

Yanzhou Wang

University of Science and Technology Beijing

Cooperative Institutions

Chinese Academy of Sciences

University of Science and Technology Beijing

Beijing Information Science & Technology University

University of Chinese Academy of Sciences

Xi'an Jiaotong University

Harbin Institute of Technology

Shanghai Jiao Tong University

Nanjing University

Peking University

Sun Yat-sen University

Author Statistics

Papers

Citation

H-Index

i-10 index

Research Field

Effect of polarization on performance of inverted solar cells based on molecular ferroelectric Hexane-1,6-diammonium pentaiodobismuth without electron transport layer

Materials Letters (2021)

Xiaolan Wang Xiaoping Zou Jialin Zhu Chunqian Zhang Jin Cheng

Photoelectric effect

Open-circuit voltage

10.1016/j.matlet.2021.130951

Cite

Citations (1)

Size and Stoichiometry Effect of FePt Bimetal Nanoparticle Catalyst for CO Oxidation: A DFT Study

The Journal of Physical Chemistry C (2020)

Lu Li Yanzhou Wang Xiao‐Xu Wang Keke Song Xiaodong Jian

Optimizing chemical proportions is an urgent problem to be solved in the design of binary catalysts. In the present paper, a kinetics process is simulated to explain the size effect and chemical proportion dependence of catalytic activity on FePt bimetallic nanocatalysts. By DFT calculation, we obtained the optimal ratio and size of the FePt catalyst to achieve maximum catalytic activity. As a result, the optimum chemical ratio (Fe/Pt = 2.1/1) has the highest catalytic activity compared to that of other ratios and the microreaction mechanism of CO oxidation can be controlled by adjusting the Fe/Pt atomic ratio to form different special structure nanoparticles. The reaction determining step (RDS) of Pt55 and Fe43Pt12 nanoparticles is that of CO assisting O2 dissociation, but the reaction determining step of direct O2 dissociation is occurred at Fe13@Pt42 core–shell structure nanoparticle. To compare with Pt55, a 0.16 eV lower energy barrier of RDS is at Fe43Pt12 nanoparticle (with the specific structure of a single Pt atomic site), which suggests that this monatomic catalyst can markedly enhance the catalytic activity of CO oxidation.

Bimetal

Nanomaterial-based catalyst

Bimetallic strip

Stoichiometry

Monatomic ion

10.1021/acs.jpcc.9b11344

Cite

Citations (19)

Genome-Wide Identification of MAPKK and MAPKKK Gene Family Members and Transcriptional Profiling Analysis during Bud Dormancy in Pear (Pyrus x bretschneideri)

Plants (2022)

Qin Liang Xiaojie Lin Jinhang Liu Yu Feng Xianqian Niu

The mitogen-activated protein kinase (MAPK) cascade consisting of three types of reversibly major signal transduction module (MAPKKK, MAPKK, and MAPK) is distributed in eukaryotes. MAPK cascades participate in various aspects of plant development, including hormone responses, cell division and plant dormancy. Pear is one of the most economically important species worldwide, and its yield is directly affected by dormancy. In this study, genome-wide identification of MAPKK and MAPKKK gene family members in Pyrus x bretschneideri and transcriptional expression analysis of MAPK cascades during pear dormancy were performed. We identified 8 MAPKKs (PbrMKKs) and 100 MAPKKKs (PbrMAPKKKs) in Pyrus using recent genomic information. PbrMAPKKs were classified into four subgroups based on phylogenetic analysis, whereas PbrMAPKKKs were grouped into 3 subfamilies (MEKK, Raf, and ZIK). Most PbrMAPKKKs and PbrMAPKKs in the same subfamily had similar gene structures and conserved motifs. The genes were found on all 17 chromosomes. The comprehensive transcriptome analysis and quantitative real-time polymerase chain reaction (qRT-PCR) results showed that numerous MAPK cascade genes participated in pear bud dormancy. The interaction network and co-expression analyses indicated the crucial roles of the MAPK member-mediated network in pear bud dormancy. Overall, this study advances our understanding of the intricate transcriptional control of MAPKKK-MAPKK-MAPK genes and provides useful information on the functions of dormancy in perennial fruit trees.

MAPK cascade

10.3390/plants11131731

Cite

Citations (3)

GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations

The Journal of Chemical Physics (2022)

Zheyong Fan Yanzhou Wang Penghua Ying Keke Song Junjie Wang

We present our latest advancements of machine-learned potentials (MLPs) based on the neuroevolution potential (NEP) framework introduced in [Fan et al., Phys. Rev. B 104, 104309 (2021)] and their implementation in the open-source package GPUMD. We increase the accuracy of NEP models both by improving the radial functions in the atomic-environment descriptor using a linear combination of Chebyshev basis functions and by extending the angular descriptor with some four-body and five-body contributions as in the atomic cluster expansion approach. We also detail our efficient implementation of the NEP approach in graphics processing units as well as our workflow for the construction of NEP models, and we demonstrate their application in large-scale atomistic simulations. By comparing to state-of-the-art MLPs, we show that the NEP approach not only achieves above-average accuracy but also is far more computationally efficient. These results demonstrate that the GPUMD package is a promising tool for solving challenging problems requiring highly accurate, large-scale atomistic simulations. To enable the construction of MLPs using a minimal training set, we propose an active-learning scheme based on the latent space of a pre-trained NEP model. Finally, we introduce three separate Python packages, GPYUMD, CALORINE, and PYNEP, which enable the integration of GPUMD into Python workflows.

Python

10.1063/5.0106617

Cite

Citations (147)

Corrigendum to “Back-interface regulation for carbon-based perovskite solar cells”, [Carbon 168 (2020) 372–391]

Carbon (2020)

Huiyin Zhang Keke Song Lianqing Zhu Qingbo Meng

Interface (matter)

Carbon fibers

10.1016/j.carbon.2020.09.001

Cite

Citations (0)

Effect of solute atoms (C, Al and Si) on hydrogen embrittlement resistance of high-Mn TWIP steels

Corrosion Science (2022)

Lin Chen Stoichko Antonov Keke Song Huihui Zhi Wenyao Li

Twip

Transgranular fracture

Embrittlement

10.1016/j.corsci.2022.110376

Cite

Citations (12)

The ultra narrow-band fiber grating filter

Optik (2013)

Yong Kong Diao Li Fei Gao Wenlong Wang Deng Chen

Fiber Bragg Grating

10.1016/j.ijleo.2013.07.155

Cite

Citations (3)

Formaldehyde Activation and Dissociation on Defective Co-doped CeO2(111): First-Principles Calculations

Authorea (2019)

Ping Qian Yajing Zhang Yuqin Xiao Lu Li Chutian Wang

DFT+U calculations have been utilized to explore theoretically three potential pathways of HCHO oxidation on Co-doped CeO2(111) with O-vacancy herein. To begin with possible adsorption configurations and resultant adsorption strengths of HCHO on Co-doped CeO2(111) are presented, we conclude that HCHO adsorbed Co-doped CeO2(111) has the kinetic stability order of Eads(Co-O-bridge) > Eads(O-top) > Eads(Ce-top-II) > Eads(Ce-O-bridge) > Eads(Ce-top-I) > Eads(Co-top) with different adsorption locations. O-vacancy has further constructed artificially at the surface rather than subsurface to stimulate the catalytic activity of Co-doped CeO2(111) because of surficial lower O-vacancy formation energy compared to the subsurface. Based on Langmuir-Hinshelwood mechanism in which O2 and HCHO are both co-adsorbed on the reduced ceria surface, three resultant individual reaction products, resulting from different pathways of HCHO oxidation on Co-doped CeO2(111) with O-vacancy, are identified in detail within the frame of transition state theory. It shows that, at Co-O bridge site, HCHO is oxidized to carbonate species with reactive energy barriers of TS1 of 0.71 and TS2 of 0.36 eV; at O top site, HCHO oxidized to CO need to overcome barriers of TS1 of 0.55 and TS2 of 0.06 eV; while at Ce-O bridge site, HCHO to CO2 is the most difficult to proceed because of its highest energy barriers of TS1 of 0.96 and TS2 of 2.14 eV. We thus predict that the reaction pathway of HCHO to CO proceeds with the lowest overall barrier on defective Co-doped CeO2(111). These findings provide clear insight into further exploration in formaldehyde activation processes.

10.22541/au.157695079.96342403

Cite

Citations (0)

Origin of Low Lattice Thermal Conductivity and Mobility of Lead-Free Halide Double Perovskites

SSRN Electronic Journal (2022)

Yong-Bo Shi Hao Wang Haikuan Dong Shuo Cao Keke Song

Lead-free halide double perovskites of Cs 2 BiAgBr 6 and Cs 2 BiAgCl 6 have attracted extensive attention due to potential application in optoelectronic ﬁeld. The transport behavior plays an important role in electronic devices based on semiconductors, which includes lattice thermal conductivity and carier mobility. Since impurities and defects may exist in the measured samples, it is di ﬃ cult to investigate the intrinsic transport behavior from experimental measurements. The theoretical prediction of their transport behaviors can provide a guidance for the application of materials. In this work, inspired by the neural network algorithm, we ﬁrst develop machine learning interatomic potential (MLIP) to explore their lattice thermal conductivities. It is found that they exhibit extremely low lattice thermal conductivity at 300 K with the values of 0.055 Wm − 1 K − 1 for Cs 2 BiAgBr 6 and 0.112 Wm − 1 K − 1 for Cs 2 BiAgCl 6 , respectively, which may be due to low phonon group velocity and strong phonon scattering. Furthermore, we use longitudinal acoustic phonon and polar optical phonon models to predict the mobility. The mobility from polar optical model is much lower than that from longitudinal acoustic phonon model, so the mobility is mainly determined by the scattering from polar optical phonon. The calculated values are µ e = 21.9 / µ h = 18.8 cm 2 V − 1 s − 1 for Cs 2 BiAgBr 6 , and µ e = 19.2 / µ h = 19.5 cm 2 V − 1 s − 1 for Cs 2 BiAgCl 6 , respectively. The stretching between Bi and Br / Cl atoms limits the mobility.

Lead (geology)

Lattice (music)

10.2139/ssrn.4191191

Cite

Citations (0)

A novel injectable hydrogel prepared from phenylboronic acid modified gelatin and oxidized-dextran for bone tissue engineering

International Journal of Biological Macromolecules (2024)

Xin Zhang Kai Nan Yuankai Zhang Keke Song Zilong Geng

Gelatin

Biomaterial

10.1016/j.ijbiomac.2024.129666

Cite

Citations (12)