Unveiling the interaction profile of cisplatin with gold-supported magnesia film

Song, Zhenjun; Fang, Silun; Xie, Ping; Zhong, Aiguo; Ma, Chunxin; Han, Deman

doi:10.1016/j.apsusc.2020.148365

Cited by 10 publications

(2 citation statements)

References 82 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…With the increasing concern of CO 2 emission and environmental deterioration, energy storage devices such as lithium ion batteries (LIBs) have been widely used for the storage and utilization of renewable energy. 1–4 Due to its high theoretical capacity and low working potential, silicon is considered as one of the ideal anode materials for next generation LIBs with high energy density. 5–7 However, it suffers from severe volume changes during the alloying/dealloying process which leads to the mechanical fracture of particles and pulverization of electrodes.…”

Section: Introductionmentioning

confidence: 99%

Facile synthesis of Si/Ge/graphite@C composite with improved tap density and electrochemical performance

et al. 2023

View full text Add to dashboard Cite

show abstract

Section: Introductionmentioning

confidence: 99%

Facile synthesis of Si/Ge/graphite@C composite with improved tap density and electrochemical performance

et al. 2023

View full text Add to dashboard Cite

show abstract

“…The pure carbon clusters are ascertained to be intermediate in the production of diamonds, silicon carbine films, and a variety of chemical systems involving hydrocarbons [ 13 , 14 , 15 ]. Transition-metal doping for hybridization is an effective way to adjust the performance and electronic properties of nanomaterials [ 16 , 17 , 18 , 19 , 20 ]. In the interstellar medium, the reactivity of small carbon clusters is forfeited by quasi-collisionless conditions, and carbon atoms take the highly thermally stable, albeit highly reactive, form linear chains.…”

Section: Introductionmentioning

confidence: 99%

Structures and Stabilities of Carbon Chain Clusters Influenced by Atomic Antimony

Song

Shao

et al. 2023

Molecules

Self Cite

View full text Add to dashboard Cite

The C-C bond lengths of the linear magnetic neutral CnSb, CnSb+ cations and CnSb− anions are within 1.255–1.336 Å, which is typical for cumulene structures with moderately strong double-bonds. In this report, we found that the adiabatic ionization energy (IE) of CnSb decreased with n. When comparing the IE~n relationship of CnSb with that of pure Cn, we found that the latter exhibited a stair-step pattern (n ≥ 6), but the IE~n relationship of CnSb chains took the shape of a flat curve. The IEs of CnSb were lower than those of corresponding pure carbon chains. Different from pure carbon chains, the adiabatic electron affinity of CnSb does not exhibit a parity effect. There is an even-odd alternation for the incremental binding energies of the open chain CnSb (for n = 1–16) and CnSb+ (n = 1–10, when n > 10, the incremental binding energies of odd (n) chain of CnSb+ are larger than adjacent clusters). The difference in the incremental binding energies between the even and odd chains of both CnSb and pure Cn diminishes with the increase in n. The incremental binding energies for CnSb- anions do not exhibit a parity effect. For carbon chain clusters, the most favorable binding site of atomic antimony is the terminal carbon of the carbon cluster because the terminal carbon with a large spin density bonds in an unsaturated way. The C-Sb bond is a double bond with Wiberg bond index (WBI) between 1.41 and 2.13, which is obviously stronger for a carbon chain cluster with odd-number carbon atoms. The WBI of all C-C bonds was determined to be between 1.63 and 2.01, indicating the cumulene character of the carbon chain. Generally, the alteration of WBI and, in particular, the carbon chain cluster is consistent with the bond length alteration. However, the shorter C-C distance did not indicate a larger WBI. Rather than relying on the empirical comparison of bond distance, the WBI is a meaningful quantitative indicator for predicting the bonding strength in the carbon chain.

show abstract

Insight into the nature of the noncovalent interactions of furan, pyridine, and pyrazine with AtX

Zhang

Yan

et al. 2022

J Mol Model

View full text Add to dashboard Cite

The σ-hole interaction (type I), counterintuitive σ-hole interaction (type II) and type Ш noncovalent interaction system formed between three heterocyclic compounds (C 4 H 4 O, C 5 H 5 N and C 4 H 4 N 2 ) and AtX (X = F, Cl and Br) have been investigated employing the MP2/aug-cc-pVTZ. For the C 5 H 5 N-AtX and C 4 H 4 N 2 -AtX complexes, the calculated interaction energy decreases according to the sequence type I > type II > type Ш. For the C 4 H 4 O-AtX complexes, the interaction energy decreases according to the sequence type II > type I > type Ш. For the same AtX, the interaction energy of type I and type Ш complexes decreases according to the sequence C 5 H 5 N > C 4 H 4 N 2 > C 4 H 4 O. while for the type II complexes, the interaction energy decreases according to the sequence C 4 H 4 O > C 5 H 5 N > C 4 H 4 N 2 . SAPT analysis shows that the electrostatic energy are predominantly of the attraction for the type complexes while the type interactions are mainly electrostatic and dispersion energy. For the type complexes, the induction, dispersion and electrostatic term have been playing the same important in the total attractive interaction. NBO analysis have also been employed.

show abstract

Unveiling the interaction profile of cisplatin with gold-supported magnesia film

Cited by 10 publications

References 82 publications

Facile synthesis of Si/Ge/graphite@C composite with improved tap density and electrochemical performance

Facile synthesis of Si/Ge/graphite@C composite with improved tap density and electrochemical performance

Structures and Stabilities of Carbon Chain Clusters Influenced by Atomic Antimony

Insight into the nature of the noncovalent interactions of furan, pyridine, and pyrazine with AtX

Contact Info

Product

Resources

About