With chemical thermodynamic method, enthalpies, entropies and heat capacities of (SiH3)nAsH3-n (1&len&le3), (CH3)4-mSiH4-m (1&lem&le4) and their radicals were calculated. Homogeneous reaction equilibri...With chemical thermodynamic method, enthalpies, entropies and heat capacities of (SiH3)nAsH3-n (1&len&le3), (CH3)4-mSiH4-m (1&lem&le4) and their radicals were calculated. Homogeneous reaction equilibrium of 65 gas phase species in SiH4 (or Si2H6) doped MOCVD GaAs by TMG and AsH3 system was analyzed, the relations of gas phase partial pressures with growth temperatures and input partial pressures were calculated. When the gas phase is saturated with a GaAs: Si solid, the gas phase partial pressures and solid phase silicon impurity (SiGa-As, Ga-SiAs, SiGa-SiAs) concentrations were calculated under different growth temperatures and input partial pressures. With the above results, some of the Si doping behavior in MOCVD of GaAs were explained.展开更多
Monoarsacyclacenes of P and F types having 3～8 arenoid rings were considered for PM3 type semiempirical molecular orbital calculations. These, yet nonexistent structures, were expected to be endothermic but stable...Monoarsacyclacenes of P and F types having 3～8 arenoid rings were considered for PM3 type semiempirical molecular orbital calculations. These, yet nonexistent structures, were expected to be endothermic but stable molecules exhibiting no cryptoannulenic effect.展开更多
Direct chemical oxidation and pure adsorption could not effectively remove p-Arsanilic acid(p-ASA)and the released inor-ganic arsenic.Herein,one novel biochar supported MnFe_(2)O_(4)(MFB)was synthesized and adopted fo...Direct chemical oxidation and pure adsorption could not effectively remove p-Arsanilic acid(p-ASA)and the released inor-ganic arsenic.Herein,one novel biochar supported MnFe_(2)O_(4)(MFB)was synthesized and adopted for p-ASA degradation and synchronous adsorption of the generated inorganic arsenic.The MFB/persulfate(PS)system could remain effective under a wide pH range(3.0-9.0),and the released arsenic could be removed simultaneously by MFB.Mechanism investiga-tion revealed that the functional groups of MFB(i.e.O-C=O and C=O),Fe and Mn oxides on MFB all contributed to PS activation.O_(2)^(·−)and^(1)O_(2)were the main reactive oxygen species(ROS)responsible for p-ASA degradation,and^(1)O_(2)was the predominant ROS.Besides,the MFB possessed superior reusability.Therefore,it is expected to develop a potential method for organic arsenic contaminants removal via an oxidation-adsorption process,and the results could also shed light on the better understanding of the PS activation mechanisms.展开更多
文摘With chemical thermodynamic method, enthalpies, entropies and heat capacities of (SiH3)nAsH3-n (1&len&le3), (CH3)4-mSiH4-m (1&lem&le4) and their radicals were calculated. Homogeneous reaction equilibrium of 65 gas phase species in SiH4 (or Si2H6) doped MOCVD GaAs by TMG and AsH3 system was analyzed, the relations of gas phase partial pressures with growth temperatures and input partial pressures were calculated. When the gas phase is saturated with a GaAs: Si solid, the gas phase partial pressures and solid phase silicon impurity (SiGa-As, Ga-SiAs, SiGa-SiAs) concentrations were calculated under different growth temperatures and input partial pressures. With the above results, some of the Si doping behavior in MOCVD of GaAs were explained.
文摘Monoarsacyclacenes of P and F types having 3～8 arenoid rings were considered for PM3 type semiempirical molecular orbital calculations. These, yet nonexistent structures, were expected to be endothermic but stable molecules exhibiting no cryptoannulenic effect.
基金the National Natural Science Foundation of China(Grant No.51709103)Natural Science Foundation of Hunan Province,China(Grant Nos.2018JJ3242 and 2021JJ30362)+1 种基金Science and Technology Innovation Leading Plan of High Tech Industry in Hunan Province(Grant No.2021GK4055)Training Program for Excellent Young Innovators of Changsha(Grant No.kq1802020).
文摘Direct chemical oxidation and pure adsorption could not effectively remove p-Arsanilic acid(p-ASA)and the released inor-ganic arsenic.Herein,one novel biochar supported MnFe_(2)O_(4)(MFB)was synthesized and adopted for p-ASA degradation and synchronous adsorption of the generated inorganic arsenic.The MFB/persulfate(PS)system could remain effective under a wide pH range(3.0-9.0),and the released arsenic could be removed simultaneously by MFB.Mechanism investiga-tion revealed that the functional groups of MFB(i.e.O-C=O and C=O),Fe and Mn oxides on MFB all contributed to PS activation.O_(2)^(·−)and^(1)O_(2)were the main reactive oxygen species(ROS)responsible for p-ASA degradation,and^(1)O_(2)was the predominant ROS.Besides,the MFB possessed superior reusability.Therefore,it is expected to develop a potential method for organic arsenic contaminants removal via an oxidation-adsorption process,and the results could also shed light on the better understanding of the PS activation mechanisms.
