Chemical Physics最新文献

英文中文

First principle investigation of essential physical properties of stable Lead-free double perovskites Cs2AgAuX6 (X = cl, Br) for green energy applications

IF 2 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2025-03-16 DOI: 10.1016/j.chemphys.2025.112706

Abdul Shakoor , Waqas Raza , Muhammad Jawad , Sikander Azam , Amin Ur Rahman , Salman Ali , Noor Ul Amin

In this research, we have utilized density functional theory (DFT) simulations using the full potential linear augmented plane-wave (FPLAPW) approach to estimate the properties of double perovskites. We utilized the PBE-GGA, to calculate structural properties. To calculate the optical and electronic properties of our understudy compounds, we have used the modified Becke and Johnson (mBJ) potential functional. Our findings reveal that these perovskites exhibit band gaps of 1.24 eV and 0.54 eV for X = Br and Cl, respectively. The optical characteristics have been studied using dielectric constants, absorption, refractive index, and reflectivity, which suggest that these double perovskites could be used in solar cells, with the highest transition values in the visible region of photon energy. Furthermore, our transport property calculations using the Boltzmann transport equation indicate that our understudy compounds are best for thermoelectric applications. This research aims to explore and open new doors to experimental and theoretical scientists in the field of optoelectronic and thermoelectric devices.

{"title":"First principle investigation of essential physical properties of stable Lead-free double perovskites Cs2AgAuX6 (X = cl, Br) for green energy applications","authors":"Abdul Shakoor , Waqas Raza , Muhammad Jawad , Sikander Azam , Amin Ur Rahman , Salman Ali , Noor Ul Amin","doi":"10.1016/j.chemphys.2025.112706","DOIUrl":"10.1016/j.chemphys.2025.112706","url":null,"abstract":"<div><div>In this research, we have utilized density functional theory (DFT) simulations using the full potential linear augmented plane-wave (FPLAPW) approach to estimate the properties of double perovskites. We utilized the PBE-GGA, to calculate structural properties. To calculate the optical and electronic properties of our understudy compounds, we have used the modified Becke and Johnson (mBJ) potential functional. Our findings reveal that these perovskites exhibit band gaps of 1.24 eV and 0.54 eV for X = Br and Cl, respectively. The optical characteristics have been studied using dielectric constants, absorption, refractive index, and reflectivity, which suggest that these double perovskites could be used in solar cells, with the highest transition values in the visible region of photon energy. Furthermore, our transport property calculations using the Boltzmann transport equation indicate that our understudy compounds are best for thermoelectric applications. This research aims to explore and open new doors to experimental and theoretical scientists in the field of optoelectronic and thermoelectric devices.</div></div>","PeriodicalId":272,"journal":{"name":"Chemical Physics","volume":"595 ","pages":"Article 112706"},"PeriodicalIF":2.0,"publicationDate":"2025-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143641642","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Catalytic mechanisms and metal ion specificity of class II fructose-1,6-bisphosphatases: A QM/MM study

IF 2 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2025-03-15 DOI: 10.1016/j.chemphys.2025.112704

Jian Wang, Lu Wang, Yinsi Ma, Xue-Ju Lv

Class II Fructose-1,6-bisphosphatases (FBPaseII) play an essential role in gluconeogenesis of bacteria and exhibit conserved catalytic ability with their crucial threonine residue. The activity of FBPaseII is affected when the native metal ion cofactor is replaced. In this study, we developed the FBPaseII catalytic complex models for different species Francisella tularensis and Mycobacterium tuberculosis, with different divalent metal cation Mn²⁺ and Mg²⁺. We simulated the two-step reaction using the Quantum Mechanics/Molecular Mechanics (QM/MM) molecular dynamics (MD) method. The results suggest that the Mg²⁺ in FtFBPase and Mn²⁺ in MtFBPase significantly increase the reaction barrier of FBPaseII, especially in the first step of the reaction. Additionally, we analyzed the stability of the metal ion and the behavior of the water molecules in the active site during the reaction. We propose that the metal ion in the active site plays a role in recruiting water molecules to the reaction center.

引用次数: 0

First-principles study of the heavy metals adsorption on SnS2 and Janus monolayers

IF 2 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2025-03-15 DOI: 10.1016/j.chemphys.2025.112701

Xiaoyu Zhu , Chi Liu , Tao Shen , Xin Liu , Feifei Sun , Yue Feng

Heavy metal contamination in water bodies caused serious threats to health and ecosystems, necessitating adsorbing materials for rapid decrease in heavy metals. Therefore, we have conducted a first-principles study on the rapid decrease of heavy metals (Hg, As, Pb) by SnXS (X = S, O, Se) monolayer. Compared with SnS₂, Janus structure SnXS (X = O, Se) narrows the band gap, and increases the electronic interactions between SnXS (X = O, Se) and heavy metals (Hg, As, Pb), thus exhibiting excellent adsorption capacity. In detail, the minimum increase in adsorption capabilities for SnOS and SnSeS are 67.6 % and 27.2 %, respectively. Moreover, the optical properties indicate that at the wavelength of 1550 nm, the refractive indexes of SnSeS reduced after adsorbing As and Pb. Similarly, at the wavelength of 1310 nm, the refractive index of SnOS reduced after adsorbing Hg. Hence, SnXS (X = O, Se) shows a prominent refractive index change characteristic, which has the potential as a functional nanomaterial in the field of optical fiber heavy metal ion detection.

{"title":"First-principles study of the heavy metals adsorption on SnS2 and Janus monolayers","authors":"Xiaoyu Zhu , Chi Liu , Tao Shen , Xin Liu , Feifei Sun , Yue Feng","doi":"10.1016/j.chemphys.2025.112701","DOIUrl":"10.1016/j.chemphys.2025.112701","url":null,"abstract":"<div><div>Heavy metal contamination in water bodies caused serious threats to health and ecosystems, necessitating adsorbing materials for rapid decrease in heavy metals. Therefore, we have conducted a first-principles study on the rapid decrease of heavy metals (Hg, As, Pb) by SnXS (X = S, O, Se) monolayer. Compared with SnS<sub>2</sub>, Janus structure SnXS (X = O, Se) narrows the band gap, and increases the electronic interactions between SnXS (X = O, Se) and heavy metals (Hg, As, Pb), thus exhibiting excellent adsorption capacity. In detail, the minimum increase in adsorption capabilities for SnOS and SnSeS are 67.6 % and 27.2 %, respectively. Moreover, the optical properties indicate that at the wavelength of 1550 nm, the refractive indexes of SnSeS reduced after adsorbing As and Pb. Similarly, at the wavelength of 1310 nm, the refractive index of SnOS reduced after adsorbing Hg. Hence, SnXS (X = O, Se) shows a prominent refractive index change characteristic, which has the potential as a functional nanomaterial in the field of optical fiber heavy metal ion detection.</div></div>","PeriodicalId":272,"journal":{"name":"Chemical Physics","volume":"595 ","pages":"Article 112701"},"PeriodicalIF":2.0,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643937","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Explanations of the changes of dynamics at the liquid-liquid transition in phosphonium ionic liquids

IF 2 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2025-03-13 DOI: 10.1016/j.chemphys.2025.112699

K.L. Ngai

Novel properties of ionic conductivity relaxation and structural relaxation were found in experiments on liquid-liquid transition (LLT) in phosphonium ionic liquids with the cation [P_666,14]⁺ and different anions. Structural reorganization at LLT causes the isobaric (isothermal) conductivity relaxation time τ_σ(T,P) to abruptly increase in its temperature (pressure) dependence, which is accompanied by the corresponding decrease of the exponent β_σKWW(T,P) in the Kohlrausch-Williams-Watts time correlation function. The correlation between τ_σ(T,P) and β_σKWW(T,P) indicates the former is related to or determined by the latter. This inference leads to the explanation by the Coupling Model (CM) with its signature equation predicting exactly that quantitatively. The explanation is justified by the absence of abrupt increase of the relaxation time τ_0σ(T,P) of the local primitive relaxation in the CM at LLT, as expected from its insensitivity to the structural reorganization in LLT. In addition, the CM equation also explained two other properties found in the phosphonium ionic liquids. (1) The β_σKWW(T,P) is invariant to variations of T and P while keeping τ_σ(T,P) constant. (2) The structural α-relaxation times

τ_{α} (T)

in some ionic liquids are longer with a larger activation energy than τ_σ(T) of ion conductivity relaxation, and correspondingly the frequency dispersion of the former is much broader than the latter.

{"title":"Explanations of the changes of dynamics at the liquid-liquid transition in phosphonium ionic liquids","authors":"K.L. Ngai","doi":"10.1016/j.chemphys.2025.112699","DOIUrl":"10.1016/j.chemphys.2025.112699","url":null,"abstract":"<div><div>Novel properties of ionic conductivity relaxation and structural relaxation were found in experiments on liquid-liquid transition (LLT) in phosphonium ionic liquids with the cation [P<sub>666,14</sub>]<sup>+</sup> and different anions. Structural reorganization at LLT causes the isobaric (isothermal) conductivity relaxation time <em>τ</em><sub><em>σ</em></sub>(<em>T,P</em>) to abruptly increase in its temperature (pressure) dependence, which is accompanied by the corresponding decrease of the exponent <em>β</em><sub><em>σKWW</em></sub>(<em>T,P</em>) in the Kohlrausch-Williams-Watts time correlation function. The correlation between <em>τ</em><sub><em>σ</em></sub>(<em>T,P</em>) and <em>β</em><sub><em>σKWW</em></sub>(<em>T,P</em>) indicates the former is related to or determined by the latter. This inference leads to the explanation by the Coupling Model (CM) with its signature equation predicting exactly that quantitatively. The explanation is justified by the absence of abrupt increase of the relaxation time <em>τ</em><sub>0<em>σ</em></sub>(<em>T,P</em>) of the local primitive relaxation in the CM at LLT, as expected from its insensitivity to the structural reorganization in LLT. In addition, the CM equation also explained two other properties found in the phosphonium ionic liquids. (1) The <em>β</em><sub><em>σKWW</em></sub>(<em>T,P</em>) is invariant to variations of <em>T</em> and <em>P</em> while keeping <em>τ</em><sub><em>σ</em></sub>(<em>T,P</em>) constant. (2) The structural α-relaxation times <span><math><mrow><msub><mi>τ</mi><mi>α</mi></msub><mrow><mfenced><mi>T</mi></mfenced></mrow></mrow></math></span> in some ionic liquids are longer with a larger activation energy than <em>τ</em><sub><em>σ</em></sub>(<em>T</em>) of ion conductivity relaxation, and correspondingly the frequency dispersion of the former is much broader than the latter.</div></div>","PeriodicalId":272,"journal":{"name":"Chemical Physics","volume":"595 ","pages":"Article 112699"},"PeriodicalIF":2.0,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643936","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Tailoring the electronic and optical properties of CsAuCl₃ via rare-earth doping: A GGA + U + SOC DFT study for phosphor-converted LEDs and advanced optoelectronic applications

IF 2 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2025-03-13 DOI: 10.1016/j.chemphys.2025.112696

Salman Ahmad , Muhammad Jawad , Amin Ur Rahman , Sikandar Azam , Asiya Zaman Khan

This study presents aninclusive first-principles investigation of pristine CsAuCl₃ and its rare-earth doped variants (Eu, Tb) using density functional theory (DFT) with the Wien2k implementation of the Full Potential Linearized Augmented Plane Wave (FP-LAPW) method. The calculations incorporate Generalized Gradient Approximation (GGA) with Hubbard U correction and Spin-Orbit Coupling (SOC) to accurately model the strongly correlated f-electrons of the rare-earth dopants. The electronic structure calculations reveal that pristine CsAuCl₃ exhibits semiconducting behavior with an indirect bandgap of 0.672 eV. Upon doping, significant modifications occur: Eu-doped CsAuCl₃ maintains semiconducting character but with a substantially reduced bandgap of 0.034 eV, while Tb-doping induces a transition to metallic behavior. Density of States (DOS) analysis demonstrates pronounced spin polarization in Eu-doped samples, suggesting potential magnetic properties arising from the interaction between Eu 4f states and the host electronic structure. Formation energy calculations confirm the thermodynamic stability of both pristine and doped configurations. Optical property calculations show that rare-earth doping significantly enhances the material's optical response. Doping of Eu and Tb enhances the absorption in infrared, visible, and ultraviolet spectral regions. Notably, Eu-doped CsAuCl₃ exhibits a dramatic enhancement in its static dielectric constant (ε₁(0) = 26.41) compared to the pristine material (ε₁(0) = 2.26). This systematic investigation demonstrates the potential of rare-earth doping for tailoring the electronic and optical properties of CsAuCl₃, suggesting promising applications in phosphor-converted LEDs, photovoltaics, and advanced optoelectronic devices. The results provide fundamental insights into the quantum mechanical mechanisms underlying the observed property modifications while establishing a theoretical framework for future materials engineering in this class of compounds.

{"title":"Tailoring the electronic and optical properties of CsAuCl₃ via rare-earth doping: A GGA + U + SOC DFT study for phosphor-converted LEDs and advanced optoelectronic applications","authors":"Salman Ahmad , Muhammad Jawad , Amin Ur Rahman , Sikandar Azam , Asiya Zaman Khan","doi":"10.1016/j.chemphys.2025.112696","DOIUrl":"10.1016/j.chemphys.2025.112696","url":null,"abstract":"<div><div>This study presents aninclusive first-principles investigation of pristine CsAuCl₃ and its rare-earth doped variants (Eu, Tb) using density functional theory (DFT) with the Wien2k implementation of the Full Potential Linearized Augmented Plane Wave (FP-LAPW) method. The calculations incorporate Generalized Gradient Approximation (GGA) with Hubbard U correction and Spin-Orbit Coupling (SOC) to accurately model the strongly correlated f-electrons of the rare-earth dopants. The electronic structure calculations reveal that pristine CsAuCl₃ exhibits semiconducting behavior with an indirect bandgap of 0.672 eV. Upon doping, significant modifications occur: Eu-doped CsAuCl₃ maintains semiconducting character but with a substantially reduced bandgap of 0.034 eV, while Tb-doping induces a transition to metallic behavior. Density of States (DOS) analysis demonstrates pronounced spin polarization in Eu-doped samples, suggesting potential magnetic properties arising from the interaction between Eu 4f states and the host electronic structure. Formation energy calculations confirm the thermodynamic stability of both pristine and doped configurations. Optical property calculations show that rare-earth doping significantly enhances the material's optical response. Doping of Eu and Tb enhances the absorption in infrared, visible, and ultraviolet spectral regions. Notably, Eu-doped CsAuCl₃ exhibits a dramatic enhancement in its static dielectric constant (ε₁(0) = 26.41) compared to the pristine material (ε₁(0) = 2.26). This systematic investigation demonstrates the potential of rare-earth doping for tailoring the electronic and optical properties of CsAuCl₃, suggesting promising applications in phosphor-converted LEDs, photovoltaics, and advanced optoelectronic devices. The results provide fundamental insights into the quantum mechanical mechanisms underlying the observed property modifications while establishing a theoretical framework for future materials engineering in this class of compounds.</div></div>","PeriodicalId":272,"journal":{"name":"Chemical Physics","volume":"595 ","pages":"Article 112696"},"PeriodicalIF":2.0,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143636530","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Two-dimensional Lorandite with high-efficiency photocatalytic water splitting: Insights from ab initio calculations

IF 2 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2025-03-07 DOI: 10.1016/j.chemphys.2025.112681

Wenyu Fang, Sheng-an Chen, Kai Jin

Photocatalytic water splitting (PWS) plays a crucial role in clean energy generation and environmental protection. In this study, we identified that single-layer Lorandite (TlAsS₂) can be experimentally synthesized due to its low cleavage energy (0.33 J/m²) and high stability. Notably, TlAsS₂ possesses suitable electronegativity (5.06 eV) and a band gap of 2.56 eV, making it a viable candidate for PWS devices. Additionally, single-layer exhibits an electron mobility of 209.83–600.14 cm²/Vs, much higher than the hole mobility of 42.07–52.02 cm²/Vs. Also, it demonstrates a strong absorption coefficient (∼10⁵ cm⁻¹), effectively covering both visible and ultraviolet light, resulting in a desirable light absorption efficiency of 39 %. In conclusion, single-layer TlAsS₂ is a highly promising candidate for optoelectronic and PWS applications due to its favorable electronic properties, light absorption capabilities and overall PWS efficiency.

引用次数: 0

Chemical insights into the initial thermolysis reactions of [2,2’-bi(1,3,4-oxadiazole)]-5,5’-dinitramide (ICM-101) from quantum chemical modeling

IF 2 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2025-03-06 DOI: 10.1016/j.chemphys.2025.112684

Shuangfei Zhu, Shufen Zheng, Zixuan Yang, Shuhai Zhang, Ruijun Gou, Yahong Chen

ICM-101 exhibits the density and detonation performance comparable to CL-20, however the atomistic details of its decomposition still remain lacking. Density functional theory and coupled-cluster theory were utilized to study the unimolecular decomposition of ICM-101 in this work. The detailed primary decay reactions map was presented, and results of thermochemistry calculations showed that the preferred decomposition path of ICM-101 is the oxidation of C atom by nitro group, which is a universal decay path in a range of energetic molecules. Furthermore, we found the reversible H transfer and bond rotation reactions for ICM-101 decay, in which bond rotation reaction was proposed as a new sensitivity mechanism. The bond rotation reaction takes place with a low energy barrier, and the product could return back to original molecule with a low barrier. Those findings could contribute to a deep understating of the sensitivity and safety of energetic materials.

引用次数: 0

Evaluating the catalytic potential of Lithium-decorated graphene quantum dots for small molecule activation

IF 2 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2025-03-05 DOI: 10.1016/j.chemphys.2025.112682

Nikhil S. Samudre , Rukminesh Tiwari

The search for effective catalysts in small molecule activation has intensified as industries seek efficient and cost-effective solutions. Lithium (Li), known for its unique electronic properties, is of significant interest as a catalyst. However, its specific catalytic potential when anchored on graphene quantum dots (GQDs) has not been fully explored. This study investigates the catalytic potential of lithium (Li) adatoms on GQDs with various edge conformations (zigzag and armchair) and sizes (24 and 42 atoms). Using density functional theory (DFT), we examine the interactions of Li-decorated GQDs with small molecules such as H₂, N₂, CO, O₂, and CO₂. Our findings reveal that Li-GQD complexes exhibit optimal catalytic activity for all these molecules, based on binding energy, charge distribution, and bond length changes. The smallest GQD, coronene (24 carbon atoms), shows the most promising catalytic activity, providing experimental leads for synthesizing and testing efficient Li-anchored catalysts.

引用次数: 0

Electronic state reconfiguration induced by structural deformation at ultrathin non-van der Waals metal oxides to accelerate oxygen evolution reaction

IF 2 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2025-03-04 DOI: 10.1016/j.chemphys.2025.112683

Ming Meng , Shiwen Lv , Yi Song , Ying Wang , Yanling Hao , Yun Shan

Electrochemical water splitting plays a critical role in developing new-type energy conversion devices, but has to face the technological bottleneck of slow anodic oxygen evolution reaction (OER). Herein, we propose an intriguing structural deformation strategy to reconfigure the electronic states at the ultrathin non-van der Waals metal oxides for facilitating the reaction kinetics of OER, in which half-filling 3d orbitals at magnetic sites will be more localized by compressive deformation and then enforce their bonding interaction and charge transfer with the intermediates. Compared with the traditional bulk materials surfaces, these ultrathin non-van der Waals metal oxides show reactive activity more sensitive to the external strain, because they have stronger interatomic interactions. The relevant analysis about d-band center and work functions all demonstrate that the exfoliation of non-van de Waals catalysts from their bulk materials have obvious advantage in improving the reactive activity.

引用次数: 0

Nanopore conductance controlled by pH: A Poisson–Nernst–Planck–Navier–Stokes model with polymer brushes

IF 2 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2025-03-04 DOI: 10.1016/j.chemphys.2025.112663

Alberto G. Albesa

This theoretical study models pH-dependent ionic transport in nanopores modified with poly(4-vinylpyridine) (P4VP) brushes using the Poisson–Nernst–Planck–Navier–Stokes equations. We demonstrate how protonation of polymer segments influences nanopore conductance under varying pH conditions. The model accurately predicts ionic conductance as a function of pH, showing excellent agreement with experimental data. A direct relationship is established between the degree of polymer dissociation and conductance, revealing how physicochemical interactions affect ionic distribution and local pH within the nanopore. These insights provide a solid theoretical basis for designing pH-sensitive nanofluidic devices.

引用次数: 0

下一页尾页

类型

全部化学•材料生命科学医学物理工程技术环境•农林材料科学地球科学法学管理学化学环境科学与生态学计算机科学教育学经济学农林科学人文科学生物学数学物理与天体物理心理学综合性期刊其他工业工程理学历史学农学文学信息工程

数据库

全部 ACS Publications Elsevier ieeexplore Springer The Royal Society of Chemistry Wiley

期刊

Chemical Physics

全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.

﹀