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Nanoscale, 2020, 12, 7098
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First-principles calculation of lithium insertion into homogeneous a-SiC2/5O6/5as high performance anode

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Silicon carboxylate derived silicon oxycarbides as anodes for lithium ion batteries

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Towards a high-rate and long-life LiVPO4F/C cathode material for lithium ion batteries by potassium and zirconium co-doping

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Theoretical investigations of permeability and selectivity of Pd–Cu and Pd–Ni membranes for hydrogen separation

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Silicon Oxycarbide/Carbon Nanohybrids with Tiny Silicon Oxycarbide Particles Embedded in Free Carbon Matrix Based on Photoactive Dental Methacrylates

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Highly stable silicon oxycarbide all-solid-state batteries enabled by machined learning accelerated screening of oxides and sulfides electrolytes

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Temperature-dependent gas sensing properties of porous silicon oxycarbide: Insight from first principles

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Atomic investigation on reversible and irreversible lithium storage in silicon incorporated with multi-layered graphene

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Highly sensitive hybrid silicon carbonitride piezoresistive sensors enabled by coupling piezoelectric effect

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Predicting gases sensing performance of α-MoO3 from nano-structural and electronic properties

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Enhanced electrical and thermal conductivities of 3D-SiC(rGO, Gx) PDCs based on polycarbosilane-vinyltriethoxysilane-graphene oxide (PCS-VTES-GO) precursor containing graphene fillers

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Numerical approach to evaluate performance of porous SiC5/4O3/2 as potential high temperature hydrogen gas sensor

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DFT investigation of gas sensing characteristics of Au-doped vanadium dioxide

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Effect of sputtering power on piezoresistivity and interfacial strength of SiCN thin films prepared by magnetic sputtering

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Regulating structural units and morphology of SiOC anode for enhanced high-rate storage and long-life lithium ion batteries

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Enabling high performance all-solid-state thin films microbatteries with silicon oxycarbide/lithium-metal composites anodes

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Adsorption and diffusion behaviors of H2, H2S, NH3, CO and H2O gases molecules on MoO3 monolayer: A DFT study

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Enhanced gas sensing performance of polyaniline incorporated with graphene: A first-principles study

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Silicon/carbon lithium-ion battery anode with 3D hierarchical macro-/mesoporous silicon network: Self-templating synthesis via magnesiothermic reduction of silica/carbon composite

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1, 10-Phenanthroline: A new highly effective promoter for formic acid electro-oxidation

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Janus MoSSe/graphene heterostructures: Potential anodes for lithium-ion batteries

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DFT investigation on highly selective NO2 sensing properties of MnPS3

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Applied Surface Science, 2021, 543, 148846
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Electrical and thermal response of silicon oxycarbide materials obtained by spark plasma sintering

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Prediction of MoO2 as high capacity electrode material for (Na, K, Ca)-ion batteries

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Kill Two Birds with One Stone: Multifunctional Porous SiOC–Fe2O3 Composite for Li Ion Energy Conversion and Electromagnetic Wave Absorption

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Tailored synthesis of monodispersed nano/submicron porous silicon oxycarbide (SiOC) spheres with improved Li-storage performance as an anode material for Li-ion batteries

Huimin Shi, Anbao Yuan and Jiaqiang Xu

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C3N/blue phosphorene heterostructure as a high rate-capacity and stable anode material for lithium ion batteries: Insight from first principles calculations

He Lin, Rencheng Jin, Shunguan Zhu and Yong Huang

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Flexible Si3C monolayer: A superior anode for high-performance non-lithium ion batteries

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Recent progress in first-principles simulations of anode materials and interfaces for lithium ion batteries

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Current Opinion in Chemical Engineering, 2016, 13, 75
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First principles investigation on MoO3 as room temperature and high temperature hydrogen gas sensor

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International Journal of Hydrogen Energy, 2020, 45, 9252
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Effect of Pt doping on sensing performance of g-C3N4 for detecting hydrogen gas: A DFT study

Sifan Luo, Qi Zhou, Wei Xue and Ningbo Liao

Vacuum, 2022, 200, 111014
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Insight into silicon-carbon multilayer films as anode materials for lithium-ion batteries: A combined experimental and first principles study

Zhen Zhang, Ningbo Liao, Hongming Zhou and Wei Xue

Acta Materialia, 2019, 178, 173
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First-principles study of a substitutionally doped phosphorene as anode material for Na-ion batteries

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Applied Surface Science, 2020, 532, 147377
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Potential application of BC2N nanotube semiconductors in the Li-ion batteries

Maryam Hussein Abdulameer, Abdulrahman T. Ahmed, Ibrahm Mahariq, Prakash Kanjariya, Asha Rajiv, Aman Shankhyan, Sachin Jaidka, Maher Ali Rusho, Harish Kumar, M. Ahmed and Hamad M. Alkahtani

Materials Chemistry and Physics, 2025, 343, 131057
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Pseudocapacitive Characteristics of Low-Carbon Silicon Oxycarbide for Lithium-Ion Capacitors

Martin Halim, Guicheng Liu, Ryanda Enggar Anugrah Ardhi, Chairul Hudaya, Ongky Wijaya, Sang-Hyup Lee, A-Young Kim and Joong Kee Lee

ACS Appl. Mater. Interfaces, 2017, 9, 20566
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A quantum mechanical study on the application of inorganic BC2N nanotubes in the Na-ion batteries

Lingyan Ai, Chunrui Chang, Ying Liu and Saeideh Ebrahimiasl

Inorganic Chemistry Communications, 2020, 116, 107886
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Theoretical approach to evaluate graphene/PANI composite as highly selective ammonia sensor

Zhi Guo, Ningbo Liao, Miao Zhang and Wei Xue

Applied Surface Science, 2018, 453, 336
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Atomic-level designed LLZO electrolyte for LTO electrode in all-solid-state batteries with superb interfacial properties

Changgui Xu, Yu Xue, Miao Zhang and Ningbo Liao

Surfaces and Interfaces, 2023, 40, 103128
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Interconnected structure Si@TiO2-B/CNTs composite anode applied for high-energy lithium-ion batteries

Nan Zhou, Yufan Wu, Yiran Li, Jiankui Yang, Qing Zhou, Yuwei Guo, Mao Xia and Zhi Zhou

Applied Surface Science, 2020, 500, 144026
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Electrosynthesis of SiC derived porous carbon nanospheres for supercapacitors

Kai Zheng, Xingli Zou, Xueliang Xie, Changyuan Lu, Shangshu Li and Xionggang Lu

Materials Letters, 2018, 216, 265
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A SiOC anode material derived from PVA-modified polysiloxane with improved Li-storage cycling stability

Huimin Shi, Zhicheng Xie, Yingying Zhang, Anbao Yuan and Jiaqiang Xu

Ionics, 2019, 25, 3051
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A novel nano-YSZ-Al alloy anode for Al–air battery

Siva Palanisamy, Naveenkumar Rajendhran, Surendhiran Srinivasan, Arunkumar Prabhakaran Shyma, Vinoth Murugan, Bhoopathy Parasuraman and Soorathep Kheawhom

J Appl Electrochem, 2021, 51, 345
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Atomistic investigation on lithiation mechanism of silicon incorporated with amorphous carbon layer as anode material for lithium-ion battery

Zhen Zhang, Ningbo Liao, Hongming Zhou and Wei Xue

Applied Surface Science, 2019, 494, 111
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Effect of carbon segregation on performance of inhomogeneous SiCyO6/5 as anode materials for lithium-ion battery: A first-principles study

Ningbo Liao, Beirong Zheng, Hongming Zhou and Wei Xue

Journal of Power Sources, 2016, 334, 39
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First-principles prediction of Ni-MoO3 as selective and sensitive sensor for detecting CO over CH4, H2, H2O, NH3, H2S gases

Yuchen Wang, Qiaobang Xiang, Qi Zhou and Ningbo Liao

Physics Letters A, 2024, 526, 129981
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SiOC/CNTs composites as anodes for lithium-ion batteries

Changhao Hu, Zhuoqi Cen, Yiling Quan, Qinghua Zhang, Xigao Jian, Kun Liang, Yujie Song and Jian Xu

Chemical Engineering Journal, 2024, 493, 152610
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Novel approach for controlling free-carbon domain in silicone oil-derived silicon oxycarbide (SiOC) as an anode material in secondary batteries

Hyojun Lim, Hyeongwoo Kim, Sang-Ok Kim, Ki Jae Kim and Wonchang Choi

Chemical Engineering Journal, 2021, 404, 126581
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SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid‐State NMR and DFT Calculations

Edina Šić, Jochen Rohrer, Emmanuel III Ricohermoso, Karsten Albe, Emmanuel Ionescu, Ralf Riedel, Hergen Breitzke, Torsten Gutmann and Gerd Buntkowsky

ChemSusChem, 2023, 16
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Cowpea-like N-Doped Silicon Oxycarbide/Carbon Nanofibers as Anodes for High-Performance Lithium-Ion Batteries

Xiao Huang, Benedict Christopher, Simin Chai, Xuefang Xie, Shizhou Luo, Shuquan Liang and Anqiang Pan

ACS Appl. Energy Mater., 2021, 4, 1677
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First-principles study on interfacial performance of Cl, Br and O-doped Li3PS4 against lithium for all-solid-state batteries

Xiuhuai Xie, Qinkai Feng, Miao Zhang and Ningbo Liao

Journal of Solid State Chemistry, 2023, 318, 123771
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Core‐Shell Si@SiOC Particles Synthesized Using Supercritical Carbon Dioxide Fluid for Superior Li‐Ion Storage Performance

Rahmandhika Firdauzha Hary Hernandha, Bharath Umesh, Jagabandhu Patra, Chun‐Yen Chen, Ju Li and Jeng‐Kuei Chang

Advanced Science, 2024, 11
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Enhanced electrical and thermal conductivities of silicon oxycarbide nanocomposites containing carbon nanofibers

M.A. Mazo, A. Tamayo, A.C. Caballero and J. Rubio

Carbon, 2018, 138, 42
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Lithiation behavior of graphene-silicon composite as high performance anode for lithium-ion battery: A first principles study

Feng Zhou, Ningbo Liao, Miao Zhang and Wei Xue

Applied Surface Science, 2019, 463, 610
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Theoretical investigation of the sensing mechanism of the pure graphene and AL,B,N,P doped mono-vacancy graphene-based methane

Jiaming Ni, Bingqiao Yang, Feifei Jia, Yulai She, Shaoxian Song and Mildred Quintana

Chemical Physics Letters, 2018, 710, 221
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Template-determined microstructure and electrochemical performances of Li-rich layered metal oxide cathode

Yuanyuan Tian, Min Chen, Shida Xue, Youxuan Cai, Qiming Huang, Xiang Liu and Weishan Li

Journal of Power Sources, 2018, 401, 343
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Insight into Si/SiCO thin films anodes for lithium-ion batteries with high capacity and cycling stability

Wei Wei, Ke Xu, Ningbo Liao and Wei Xue

Applied Materials Today, 2020, 20, 100773
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Phosphoric acid induced homogeneous crosslinked phosphorus doped porous Si nanoparticles with superior lithium storage performance

Jiaming Zhang, Xiangyang Zhou, Jingjing Tang, Yongpeng Ren, Min Jiang, Yougen Tang, Haiyan Wang and Juan Yang

Applied Surface Science, 2020, 509, 144873
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Lithium trapping, hydrogen content, and solid electrolyte interphase growth in electrodeposited silicon anodes by ion beam analysis

Xiaoyang Ji, Nathan J. Fritz, Hyewon Jeong, Peilin Lu, Jr-Wen Lin, Paul V. Braun and David G. Cahill

Journal of Power Sources, 2024, 614, 235039
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First principles investigation on selective hydrogen sensing properties of α-phase TeO2

Minming Jiang, Ke Xu, Ningbo Liao and Hongming Zhou

International Journal of Hydrogen Energy, 2021, 46, 4666
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Ultrasensitive piezoresistive behavior of silicon carbonitride thin films by optimizing nanomorphologies

K. Xu, M. Jiang, W. Xue and N. Liao

Materials Today Nano, 2022, 20, 100270
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First principles study of Rh-doped SnO2 for highly sensitive and selective hydrogen detection

Qinkai Feng, Xiuhuai Xie, Miao Zhang and Ningbo Liao

Sensors and Actuators A: Physical, 2022, 345, 113788
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Understanding the lithiation mechanisms of pyrenetetrone-based carbonyl compound as cathode material for lithium-ion battery: Insight from first principle density functional theory

Hitler Louis, Terkumbur E. Gber, Fredrick C. Asogwa, Ededet A. Eno, Tomsmith O. Unimuke, Victoria M. Bassey and Benedict I. Ita

Materials Chemistry and Physics, 2022, 278, 125518
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First-principles calculations and experimental study of Mo-doped porous nano-silicon anodes for Li-ion batteries

Chucheng Luo, Xiangyang Zhou, Jing Ding, Herong Xu, XinMing Wang, Haoteng Yao, Jingjing Tang and Juan Yang

Composites Communications, 2021, 28, 100941
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SiOC Phase Control and Carbon Nanoribbon Growth by Introducing Oxygen at Atom Level for Lithium‐Ion Batteries

Pengfei Wu, Zhicheng Zheng, Benyang Shi, Chao Liu, Shaohong Chen, Binbin Xu and Anhua Liu

Small Methods, 2022, 6
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Structural control of carbon hollow spheres and its SiOC composite

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Journal of Power Sources, 2025, 648, 237400
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Atomic-scale investigations of enhanced hydrogen separation performance from doping boron and nitrogen in graphdiyne membrane

Ke Xu, Ningbo Liao, Miao Zhang and Wei Xue

International Journal of Hydrogen Energy, 2020, 45, 28893
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Composition-Nanoarchitecture-Performance Analysis of High Energy Density Electrodeposited Silicon for Lithium-Ion Battery Anodes

Nathan J. Fritz, Hyewon Jeong, Beniamin Zahiri, Pengcheng Sun, Gaurav Singhal, Michael A. Caple, Zhenzhen Yang, Jingcheng Ma, Minseok Choi, Akwar A. Obong, Aaron J. Blake, John B. Cook, Nenad Miljkovic, David G. Cahill and Paul V. Braun

ACS Appl. Energy Mater., 2024, 7, 5957
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Silicon Oxycarbide-Derived Carbon as Potential NO2 Gas Sensor: A First Principles’ Study

Ningbo Liao, Hongming Zhou, Beirong Zheng and Wei Xue

IEEE Electron Device Lett., 2018, 39, 1760
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Adsorption behaviors of CO, H2O, CH4, H2S, H2 and NH3 gases on Cu-doped MoO3 monolayer: A first-principles study

Yuchen Wang, Yu Xue, Changgui Xu, Qi Zhou and Ningbo Liao

Chemical Physics, 2023, 572, 111970
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Deciphering fast lithium storage kinetics via R-based self-derivation effects in siloxanes

Kezhuo Li, Gaoqian Yuan, Xuefeng Liu, Qiao Xie, Long Dong, Ziyu Li, Haijun Zhang, Zhengwei Xie, Shaowei Zhang and Wen Lei

Energy Storage Materials, 2024, 65, 103194
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Superior interfacial stability and conductivity of B-doped LiPON electrolyte for LiCoO2 electrode in solid-state lithium batteries

Qinkai Feng, Xiuhuai Xie, Miao Zhang and Ningbo Liao

Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2022, 648, 129349
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On the Practical Applicability of Rambutan‐like SiOC Anode with Enhanced Reaction Kinetics for Lithium‐Ion Storage

Kezhuo Li, Gaoqian Yuan, Xuefeng Liu, Yan Guo, Ren Huang, Hang Li, Haijun Zhang, Quanli Jia, Zhengwei Xie, Shaowei Zhang and Wen Lei

Adv Funct Materials, 2023, 33
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