Novel two-dimensional tetragonal vanadium carbides and nitrides as promising materials for Li-ion batteries
文献情報
Zhansheng Lu, Zhiguang Wang, Yuhong Li
Two-dimensional (2D) materials, owing to their unique properties, have shown great potential for energy storage. In this work, we predict two types of new 2D transition metal carbides and nitrides, namely, tetragonal V2C2 and V2N2 (tetr-V2C2 and tetr-V2N2) monolayer sheets. Comprehensive first-principle calculations show that these two 2D systems exhibit dynamic (thermal) stabilities and intrinsic metallic nature. Compared with the commercialized graphite anode material, tetr-V2C2 and tetr-V2N2 monolayer sheets exhibit lower Li diffusion barrier of 89 and 94 meV, higher theoretical capacity of 412 and 425 mA h g−1 and lower average open circuit of 0.468 and 0.583 V, respectively. Combining those advanced features, our proposed tetr-V2C2 and tetr-V2N2 monolayer sheets are both promising candidates as anode materials for lithium-ion batteries (LIBs) in the future.
関連文献
High molar mass poly(ricinoleic acid) via entropy-driven ring-opening metathesis polymerization
Marc A. Hillmyer
DOI: 10.1039/D1PY00185J
Conjugated microporous polymers using a copper-catalyzed [4 + 2] cyclobenzannulation reaction: promising materials for iodine and dye adsorption
Saleh Al-Mousawi
DOI: 10.1039/D1PY00193K
Biobased polymers derived from itaconic acid bearing clickable groups with potent antibacterial activity and negligible hemolytic activity
A. Funes, R. Cuervo-Rodríguez
DOI: 10.1039/D1PY00098E
Helical polymer self-assembly and chiral nanostructure formation
Randall A. Scanga, James F. Reuther
DOI: 10.1039/D0PY01558J
Enhancing and toughening plant oil-based polymeric materials through synergetic supramolecular and covalent interactions by introducing nucleobase-functionalized celluloses
Jianjun Li, Jiaqi Chen, Jiang Wu, Handan Lei, Yuting Tian
DOI: 10.1039/D1PY00493J
Practical phosphorylation of polymers: an easy access to fully alcohol soluble synthetically and industrially important polymers
Gokhan Sagdic, Ozgun Daglar, Ufuk Saim Gunay, Emrah Cakmakci, Gurkan Hizal, Umit Tunca, Hakan Durmaz
DOI: 10.1039/D1PY00726B
NMR investigations of polytrifluoroethylene (PTrFE) synthesized by RAFT
Vincent Bouad, Marc Guerre, Sami Zeliouche, Bruno Améduri, Cédric Totée, Gilles Silly, Rinaldo Poli, Vincent Ladmiral
DOI: 10.1039/D0PY01753A
Synthetic approaches for copolymers containing nucleic acids and analogues: challenges and opportunities
Hao Lu, Jiansong Cai, Ke Zhang
DOI: 10.1039/D0PY01707H
Heterotellurium-containing macrocycles towards degradable tellurium-functionalized polymers
Jieni Hu, Chuanhao Sun, Siqi Li, Yuan Yuan
DOI: 10.1039/D1PY00703C
こちらもおすすめ
2-ブロモ-9,9-ジフェニル-9H-フルオレンの主な用途は何ですか?
2-溴-9,9-二苯基芴は、医薬品、工業材料、有機合成の研究分野で応用されます。特に、レーザー材料や機能性ポリマーの合成に使用されることがあります。また、蛍光色...
四氯化铱の市場動向や研究トレンドはどうですか?
四氯化铱の市場は研究開発分野で注目されており、特にナノ技術や金属有機框架(MOFs)の分野での需要が増加傾向にあります。価格は安定しており、中国や韓国での生産が...
1-(4-溴-3-氟苯基)-2-氯乙酮を含む廃棄物はどのように処理すべきですか?
1-(4-溴-3-氟苯基)-2-氯乙酮 (CAS番号: 1260857-14-4) の廃棄物は専門的な廃棄処理が必要です。まず、廃棄物は密閉された容器に収集し、...
苦参酚Kとは何ですか?
苦参酚Kは、CAS番号101236-49-1を持つ化合物で、主に天然由来の生薬から抽出されます。この化合物は、抗炎症作用や抗癌作用を持つことが報告されています。
POTASSIUM (1-(TERTBUTOXYCARBONYL)AZETIDIN-3-YL)TRIFLUOROBORATE を含む廃棄物はどのように処理すべきですか?
POTASSIUM (1-(TERTBUTOXYCARBONYL)AZETIDIN-3-YL)TRIFLUOROBORATE を含む廃棄物は、まず安全なエント...
4-庚基-4’-联苯羧酸の市場動向や研究トレンドはどうですか?
4-庚基-4’-聯苯羧酸は、特殊化学品や合成化学の分野で用いられる化学物質ですが、市場動向としては、研究開発の進展とともに需要が増加しています。また、環境配慮型...
6-ブロモ-3-メトキシ-1-フェニル-1H-インドゾールを含む廃棄物はどのように処理すべきですか?
6-ブロモ-3-メトキシ-1-フェニル-1H-インドゾールを含む廃棄物は、適切な化学廃棄処理が必要です。通常、廃棄物は密閉容器に収集され、専門の廃棄処理業者に引...
4,4-二甲基-2-吡咯烷酮はどの業界で使用されていますか?
4,4-二甲基-2-吡咯烷酮は医薬、ポリマー、センサー、半導体などの業界で広く使用されています。特に溶媒としての性能が高く評価されています。
掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














