Zhang Mei |  Li Bo... -  《Journal of industrial and engineering chemistry》 - 2024,132 - 572～577 - 共6页 - 被引量：6

摘要： this study,phographene(PG)is investigated for | Due to widespread concerns regarding health |  and environmental risks associated with heavy metal |  ions,wastewater must be cleaned of them.As part of |  removing Pb~(2+),Hg~(2+),and Cd2+ions from wastewater.It

关键词： Phographene |  Transport |  Wastewater |  Removing

Siadati S.A. |  Ebrahimzadeh M.A.... -  《Diamond and Related Materials》 - 2024,147 - 1～9 - 共9页 - 被引量：3

摘要：-phographene, g-X3N4 nanosheets, and C19X fullerenes have |  higher temperatures). Also, the Eads of α-phographene |  drug. Finally, our results confirm that α-Phographene | Bortezomib is a key agent for treatment of |  cancer; while, it is a very hazardous bioactive

关键词： Bortezomib |  Drug delivery |  Fullerenes |  G-C3N4 nanosheets |  Semiconductor sensors |  Theoretical study |  α-Phographene

Yadav, Anupam |  Mustafa, Mohammed Ah...... -  《Journal of molecular modeling》 - 2024,30(8) - ARTN 297～ - 共8页 - 被引量：1

摘要：Context Phographene and its family member |  potential of using alpha-phographene (alpha-POG) both for |  structures are of the newly proposed semiconductors for |  detection of chemicals. That is, in this project, the |  adsorption and detection of five types of the most

关键词： alpha-phographene |  DFT |  Hazardous gases |  Sensor |  Sorbent |  2+3 CYCLOADDITION REACTIONS |  C-20 FULLERENE |  GRAPHENE |  NANOTUBES |  GAS

Ferreira D.F.S. |  Oliveira W.D.... -  《Materials Letters》 - 2023,347(Sep.15) - 134609.1～134609.4 - 共4页 - 被引量：2

摘要： Graphene is widely investigated. So, α-PhoGraphene has | ? 2023 Elsevier B.V.Currently, the search for |  electronic materials that perform better promising as |  drawn attention for being energetically comparable to |  structures already synthesized. In this work, the

关键词： DFT/NEGF |  Graphene |  Metallic |  Ohmic behavior |  α-Pho-Graphene

Thomas, Siby |  Jana, Saibal... -  《Journal of industrial and engineering chemistry》 - 2020,81 - 287～293 - 共7页 - 被引量：9

摘要：-phographene (PhoG) for Lithium-ion battery (LIB) anode | It is noteworthy to elucidate the underlying |  atomistic insights of next-generation battery electrode |  materials to overcome the existing constraints associated |  with its rapid progress. By employing classical

关键词： Molecular dynamics |  Phographene |  Anode material |  Li-ion battery |  Mechanical properties |  Li diffusion kinetics

Thomas, Siby |  Lee, Chi Ho... -  《The journal of physical chemistry, C. Nanomaterials and interfaces》 - 2019,123(35) - 21345～21352 - 共8页 - 被引量：42

摘要：- and beta-phographene (PhoG). Our calculations | The progress of ecofriendly, clean, and |  sustainable energy resources always demands suitable anode |  materials for batteries with high structural stability and |  superior storage capacity. Herein, we use density

Fan, Xinyu |  Li, Jiao... -  《RSC Advances》 - 2017,7(28) - 17417～17426 - 共10页 - 被引量：1

摘要： have found new alpha-, beta-, and delta-phographene |  carbon allotropes. The alpha-phographene is almost | -phographene shows enhanced joint density of states at the |  alpha-phographene. Interestingly, the alpha | -phographene has a Young's modulus and Poisson's ratio close

Santos, E. A. J. |  Lima, K. A. L.... -  《scientific reports》 - 2024,14(1) - 共13页

摘要：The category of 2D carbon allotropes has |  gained considerable interest due to its outstanding |  optoelectronic and mechanical characteristics, which are |  crucial for various device applications, including |  energy storage. This study uses density functional

关键词： TODD-graphene |  2D carbon allotrope |  Electronic properties |  Mechanical properties |  Optical properties |  FAST LI DIFFUSION |  MECHANICAL-PROPERTIES |  MOLECULAR-DYNAMICS |  ANODE MATERIAL |  ELASTIC PROPERTIES...

Rahul, M. P. |  Clement, Joseph -  《ain shams engineering journal》 - 2023,14(11) - 共14页 - 被引量：8

摘要： allotropes: pentagraphene, phagraphene, and phographene | The inherent qualities of carbon nanosheets |  that come from their underlying molecular structure |  have drawn an enormous amount of interest from |  researchers. Molecular descriptors are commonly used graph

关键词： Molecular descriptors |  Edge partition method |  Shannon's entropy |  Carbon allotropes |  Graphene derivatives |  TOPOLOGICAL INDEXES |  MECHANICAL-PROPERTIES |  SZEGED INDEX |  GRAPHENE |  COMPLEXITY