Photocatalytic water splitting has gained increasing attention, since it utilizes renewable resources, such as water and solar energy, to produce hydrogen. Using the first-principles density functional theory, we inve...Photocatalytic water splitting has gained increasing attention, since it utilizes renewable resources, such as water and solar energy, to produce hydrogen. Using the first-principles density functional theory, we investigate the properties of the single layer C_2N which was successfully synthesized. We reveal that monolayer C_2N has a substantial direct band gap of 2.45 eV. To regulate its band gap, four different nonmetal elements（B, O, P, and S） on the cation and anion sites are considered. Among them, B-doped N site is the most effective one, with the lowest formation energy and a band gap of 2.01 eV. P-doped N site is the next, with a band gap of 2.08 eV, though its formation energy is higher. The band alignments with respect to the water redox levels show that, for these two dopings, the thermodynamic criterion for the overall water splitting is satisfied. We therefore predict that B-or P-doped C_2N, with an appropriate band gap and an optimal band-edge position, would be a promising photocatalyst for visible-light water splitting.展开更多
WC-10Co cemented carbides with finer WC and narrower grain size distributions are produced by using(Cr,V)_(2)(C,N)as grain growth inhibitors.As a result,with the increase of(Cr_(0.9),V_(0.1))_(2)(C,N)and(V_(0.9),Cr_(0...WC-10Co cemented carbides with finer WC and narrower grain size distributions are produced by using(Cr,V)_(2)(C,N)as grain growth inhibitors.As a result,with the increase of(Cr_(0.9),V_(0.1))_(2)(C,N)and(V_(0.9),Cr_(0.1))_(2)(C,N),the grains size of WC and mean free path of Co phase decrease,and adjacency of WC increases.Refinement and homogenization of grains enhance the transverse rupture strength(TRS)and the hardness.Meanwhile,the deflection and bridging of cracks keep the fracture toughness at a respectable level.The WC-10Co-0.6(Cr_(0.9),V_(0.1))_(2)(C,N)-0.025(V_(0.9),Cr_(0.1))_(2)(C,N)cemented carbides exhibit excellent comprehensive mechanical properties with the TRS of 4602.6 MPa,hardness of 1835 kg/mm^(2),and fracture toughness of 10.39 MPa·m^(1/2),respectively.However,the large pores are caused by excess N larger than 0.03 wt%and deteriorates the mechanical properties.We provide a new approach to WC-Co cemented carbides preparation with a narrow grain size distribution by adding novel grain growth inhibitors.展开更多
利用常规研究方法,对甜菜单体附加系M 14品系(B eta vu lg aris L.,VV+1C、2n=18+1)的生殖方式进行细胞学与胚胎学研究.结果表明:(1)甜菜单体附加系M 14的4代细胞学检查表明:染色体组分别为VV+1C、2n=18+1;VV+0、2n=18+0;VV+2C、2n=18+2...利用常规研究方法,对甜菜单体附加系M 14品系(B eta vu lg aris L.,VV+1C、2n=18+1)的生殖方式进行细胞学与胚胎学研究.结果表明:(1)甜菜单体附加系M 14的4代细胞学检查表明:染色体组分别为VV+1C、2n=18+1;VV+0、2n=18+0;VV+2C、2n=18+2;VVV+0、2n=27+0;VVV+1C、2n=27+1;VVV+2C、2n=27+2等,其中VV+1C、2n=18+1的植株传递率平均为96.7%,表现为稳定传递,具有二倍体孢子无融合生殖特性;其余各种分离植株的传递率总计为3.25%,有性生殖发生率较低.(2)胚胎学研究表明,二倍体孢子无融合生殖的胚珠中,珠孔处看不到花粉管,胚囊没有发生受精作用.2个助细胞提前退化,半数卵细胞的极性与正常卵细胞相反;卵与次生核不经受精而自发分裂,卵细胞自发分裂产生无性胚,次生核自发分裂产生核型胚乳,而且次生核自发分裂早于卵细胞分裂;有性生殖胚珠中,珠孔处可见多条花粉管,胚囊里见到精卵融合的图像.表明甜菜单体附加系M 14是以二倍体孢子无融合生殖为主要繁殖方式,有性生殖为次要敏殖方式的兼性无融合生殖体.展开更多
The novel copper?complex with salicylaldehyde benzoylhydrazone and pyridine ligands, Cu(C14H10N2O2)(C5H5N), has been synthesized and characterized by elemental analysis, IR and thermal analysis. The crystal structure ...The novel copper?complex with salicylaldehyde benzoylhydrazone and pyridine ligands, Cu(C14H10N2O2)(C5H5N), has been synthesized and characterized by elemental analysis, IR and thermal analysis. The crystal structure of the title complex has been determined by single crystal X ray diffraction techniques. The crystal belongs to monoclinic with space group P21/c. The cell parameters are: a=1.6362(9)nm, b=1.7140(9)nm, c=1.2255(7)nm, β=105.168(9)°, V=3.317(3)nm3, Z=8, Dc=1.525g·cm-3, μ(MoKα)=1.334mm-1, F(000)=1560. The structure wasrefined to final R1=0.0376, wR2=0.0909. The copper?ion lies in a distorted square planar environment composed of two oxygen atoms, one nitrogen atom of tridentate acyhydrazone Schiff base ligand and one nitrogen atom of the pyridine ligand. CCDC: 193111.展开更多
基金supported by the National Natural Science Foundation of China(Grant No.11574167)
文摘Photocatalytic water splitting has gained increasing attention, since it utilizes renewable resources, such as water and solar energy, to produce hydrogen. Using the first-principles density functional theory, we investigate the properties of the single layer C_2N which was successfully synthesized. We reveal that monolayer C_2N has a substantial direct band gap of 2.45 eV. To regulate its band gap, four different nonmetal elements（B, O, P, and S） on the cation and anion sites are considered. Among them, B-doped N site is the most effective one, with the lowest formation energy and a band gap of 2.01 eV. P-doped N site is the next, with a band gap of 2.08 eV, though its formation energy is higher. The band alignments with respect to the water redox levels show that, for these two dopings, the thermodynamic criterion for the overall water splitting is satisfied. We therefore predict that B-or P-doped C_2N, with an appropriate band gap and an optimal band-edge position, would be a promising photocatalyst for visible-light water splitting.
基金Funded by the 2021 Strategic Cooperation Project between Sichuan University and The People's Government of Zigong(No.2021CDZG-1)Major Science and Technology Research Projects of Panxi,Sichuan Province(No.2022PXZB-04)。
文摘WC-10Co cemented carbides with finer WC and narrower grain size distributions are produced by using(Cr,V)_(2)(C,N)as grain growth inhibitors.As a result,with the increase of(Cr_(0.9),V_(0.1))_(2)(C,N)and(V_(0.9),Cr_(0.1))_(2)(C,N),the grains size of WC and mean free path of Co phase decrease,and adjacency of WC increases.Refinement and homogenization of grains enhance the transverse rupture strength(TRS)and the hardness.Meanwhile,the deflection and bridging of cracks keep the fracture toughness at a respectable level.The WC-10Co-0.6(Cr_(0.9),V_(0.1))_(2)(C,N)-0.025(V_(0.9),Cr_(0.1))_(2)(C,N)cemented carbides exhibit excellent comprehensive mechanical properties with the TRS of 4602.6 MPa,hardness of 1835 kg/mm^(2),and fracture toughness of 10.39 MPa·m^(1/2),respectively.However,the large pores are caused by excess N larger than 0.03 wt%and deteriorates the mechanical properties.We provide a new approach to WC-Co cemented carbides preparation with a narrow grain size distribution by adding novel grain growth inhibitors.
文摘利用常规研究方法,对甜菜单体附加系M 14品系(B eta vu lg aris L.,VV+1C、2n=18+1)的生殖方式进行细胞学与胚胎学研究.结果表明:(1)甜菜单体附加系M 14的4代细胞学检查表明:染色体组分别为VV+1C、2n=18+1;VV+0、2n=18+0;VV+2C、2n=18+2;VVV+0、2n=27+0;VVV+1C、2n=27+1;VVV+2C、2n=27+2等,其中VV+1C、2n=18+1的植株传递率平均为96.7%,表现为稳定传递,具有二倍体孢子无融合生殖特性;其余各种分离植株的传递率总计为3.25%,有性生殖发生率较低.(2)胚胎学研究表明,二倍体孢子无融合生殖的胚珠中,珠孔处看不到花粉管,胚囊没有发生受精作用.2个助细胞提前退化,半数卵细胞的极性与正常卵细胞相反;卵与次生核不经受精而自发分裂,卵细胞自发分裂产生无性胚,次生核自发分裂产生核型胚乳,而且次生核自发分裂早于卵细胞分裂;有性生殖胚珠中,珠孔处可见多条花粉管,胚囊里见到精卵融合的图像.表明甜菜单体附加系M 14是以二倍体孢子无融合生殖为主要繁殖方式,有性生殖为次要敏殖方式的兼性无融合生殖体.
文摘The novel copper?complex with salicylaldehyde benzoylhydrazone and pyridine ligands, Cu(C14H10N2O2)(C5H5N), has been synthesized and characterized by elemental analysis, IR and thermal analysis. The crystal structure of the title complex has been determined by single crystal X ray diffraction techniques. The crystal belongs to monoclinic with space group P21/c. The cell parameters are: a=1.6362(9)nm, b=1.7140(9)nm, c=1.2255(7)nm, β=105.168(9)°, V=3.317(3)nm3, Z=8, Dc=1.525g·cm-3, μ(MoKα)=1.334mm-1, F(000)=1560. The structure wasrefined to final R1=0.0376, wR2=0.0909. The copper?ion lies in a distorted square planar environment composed of two oxygen atoms, one nitrogen atom of tridentate acyhydrazone Schiff base ligand and one nitrogen atom of the pyridine ligand. CCDC: 193111.
