Background and Aims:Tenofovir alafenamide(TAF)has similar efficacy to tenofovir disoproxil fumarate(TDF)but with improved renal and bone safety in chronic hepatitis B patients studied outside of China.We report 3-year...Background and Aims:Tenofovir alafenamide(TAF)has similar efficacy to tenofovir disoproxil fumarate(TDF)but with improved renal and bone safety in chronic hepatitis B patients studied outside of China.We report 3-year results from two phase 3 studies with TAF in China(Clinicaltrials.gov:NCT02836249 and NCT02836236).Methods:Chinese hepatitis B e antigen(HBeAg)-positive and-negative chronic hepatitis B patients with viremia and elevated alanine aminotransferase were randomized 2:1 to TAF or TDF treatment groups and treated in a double-blind fashion for 144 weeks(3 years).Efficacy responses were assessed by individual study while safety was assessed by a pooled analysis.Results:Of the 334 patients(180 HBeAg-positive and 154 HBeAg-negative)randomized and treated,baseline characteristics were similar between groups.The overall mean age was 38 years and 73%were male.The mean HBV DNA was 6.4 log10 IU/mL.The median alanine aminotransferase was 88 U/L,and 37%had a history of antiviral use.At week 144,the proportion with HBV DNA<29 IU/mL was similar among the two groups,with TAF at 83%vs.TDF at 79%,and TAF at 93%vs.TDF at 92%for the HBeAg-positive and-negative patients,respectively.In each study,higher proportions of TAF than TDF patients showed normalized alanine aminotransferase(via the American Association for the Study of Liver Diseases and the China criteria)and showed loss of HBsAg;meanwhile,the HBeAg seroconversion rates were similar.Treatment was well-tolerated among the TAF patients,who showed a smaller median decline in creatinine clearance(−0.4 vs.−3.2 mL/min;p=0.014)and less percentage change in bone mineral density vs.TDF at hip(−0.95%vs.−1.93%)and spine(+0.35%vs.−1.40%).Conclusions:In chronic hepatitis B patients from China,TAF treatment provided efficacy similar to TDF but with better renal and bone safety at 3 years.展开更多
Background and Aims:Genotype(GT)1 remains the predominant hepatitis c virus(HCV)GT in Chinese patients.Over 80%of those Chinese patients harbor the interferon-sensitive CC allele of IFNL4rs12979860,which is favorable ...Background and Aims:Genotype(GT)1 remains the predominant hepatitis c virus(HCV)GT in Chinese patients.Over 80%of those Chinese patients harbor the interferon-sensitive CC allele of IFNL4rs12979860,which is favorable for interferon-based treatment regimens.This phaseⅢclinical trial aimed to evaluate the efficacy and safety of the ritonavirboosted danoprevir plus pegylated-interferonα-2a and ribavirin regimen for 12 weeks in treatment-na(i)ve mainland Chinese patients infected with HCV GT1 without cirrhosis.Methods:One hundred and forty-one treatment-na(i)ve,non-cirrhotic HCV GT1 Chinese patients(age≥18 years)were enrolled for this single-arm,multicenter,phaseⅢMANASA study(NCT03020082).Patients received a combination of ritonavir-boosted danoprevir(100 mg/100 mg)twice a day plus subcutaneous injection of weekly pegylated-interferonα-2a(180μg)and oral ribavirin(1000/1200 mg/day body weight<75/≥75 kg)for 12 weeks.The primary end-point was sustained virologic response rate at 12 weeks after the end of treatment.The secondary end-points were safety outcomes,tolerability,virologic response over time and relapse rate.Results:All enrolled patients were HCV GT1-infected,and most among them(97.9%,123/141)had the HCV GT1b subtype.Single-nucleotide polymorphism test showed that the majority of patients were of the IFNL4 rs12979860 CC genotype(87.2%,123/141).Overall,140 patients completed the 12-week treatment,and 97.1%(136/140)patients achieved sustained virologic response at 12 weeks(per protocol population group,95%confidence interval:92.9-99.2%).Only drug-related serious adverse event occurred.Most of the adverse events were grade 1 and grade 2 alanine aminotransferase elevation or liver dysfunction.One patient discontinued treatment because of severe head injury in a car accident.Conclusions:The triple regimen of ritonavir-boosted danoprevir plus pegylated-interferonα-2a and ribavirin produced a sustained virologic response rate of 97.1%after 12 weeks treatment in noncirrhotic HCV GT1-infected Chinese patients,and was safe and well tolerated.展开更多
Background and Aims:After 3-years(144 week)of double-blind treatment in Chinese chronic hepatitis B patients in two ongoing phase 3 studies,tenofovir alafenamide(TAF)showed similar efficacy to tenofovir disoproxil fum...Background and Aims:After 3-years(144 week)of double-blind treatment in Chinese chronic hepatitis B patients in two ongoing phase 3 studies,tenofovir alafenamide(TAF)showed similar efficacy to tenofovir disoproxil fumarate(TDF),with improved renal and bone safety.In this study,we aimed to report the 5-year results from 2 years into the open-label TAF treatment phase.Methods:All participants completing the 144-week double-blind treatment were eligible to receive open-label TAF 25 mg once daily up to week 384.Serial analysis of viral suppression(hepatitis B virus DNA<29 IU/mL),alanine aminotransferase normalization,serological responses,and safety outcomes at year 5(week 240)was performed.Results:The openlabel phase included 93%(311/334)of the enrolled participants,which included 212 who switched from double-blind TAF to open-label TAF(TAF-TAF)and 99 who switched from double-blind TDF to open-label TAF(TDF-TAF).Baseline characteristics were comparable.Week 240 viral suppression rates were similar between groups[93.4%vs.93.9%;difference:-1.5%,(95%CI:-6.4 to-3.5),p=0.857].Alanine aminotransferase normalization and serological response rates were higher in the TAF-TAF group than in the TDF-TAF group.The frequencies of adverse events and laboratory abnormalities were low and similar between groups.Both groups had similar small numerical declines from baseline in estimated glomerular filtration rate at year 5(week 240,-2.85 mL/min vs.-3.29 mL/min,p=0.910).The greater declines in renal and bone parameters in the TDF-TAF group through week 144 improved after switching to TAF.Conclusions:The 5-year TAF treatment efficacy was high and similar to that of 3-year TDF followed by 2-year TAF in Chinese chronic hepatitis B patients.Favorable effects on bone and renal parameters were sustained with TAF treatment alone and were observed following the switch from TDF to TAF.展开更多
Background and Aims:Data are limited on the use of pegylated-interferon alpha-2a(peg-IFNα)in Chinese patients with chronic hepatitis B virus(HBV)infection(CHB).We evaluated the effectiveness and safety of peg-IFNαin...Background and Aims:Data are limited on the use of pegylated-interferon alpha-2a(peg-IFNα)in Chinese patients with chronic hepatitis B virus(HBV)infection(CHB).We evaluated the effectiveness and safety of peg-IFNαin Chinese patients with hepatitis B envelope antigen-negative CHB in routine clinical practice.Methods:In this prospective,multicenter,observational,non-interventional cohort study,patients were assessed for up to 1 year after peg-IFNαtreatment cessation.Treating physicians established the dosing and treatment duration according to Chinese clinical practice.Effectiveness of peg-IFNαtreatment was measured by the percentage of:patients with HBV DNA<2000 IU/mL and loss of hepatitis B surface antigen(commonly known as HBsAg);HBV DNA level at end of treatment(EOT),and 6 months and 1 year posttreatment;and time course change in quantitative HBV DNA and HBsAg.Results:At EOT,6 months posttreatment,and 1 year posttreatment,the percentage of patients with HBV DNA<2000 IU/mL was 90.0%,81.8%,and 82.2%,and that of patients with HBsAg loss was 6.5%,9.4%,and 9.5%,respectively.The HBV DNA level decreased from 5.61 log IU/mL at baseline to 2.48 log IU/mL at EOT and 2.67 log IU/mL at 1 year posttreatment.The HBsAg level decreased from 3.08 log IU/mL at baseline to 2.24 log IU/mL at EOT and 2.10 log IU/mL at 1 year posttreatment.The incidence of adverse events was 52.0%.Conclusions:Peg-IFNαhas the potential to provide functional cure(HBsAg loss)for CHB and is well tolerated in hepatitis B envelope antigen-negative CHB patients in routine clinical practice in China.展开更多
The protection and management of the wetland should consider the changes in hydrological connectivity(HC)caused by the structural modifications of the soil macropores.The main purpose of our work is to clarify and qua...The protection and management of the wetland should consider the changes in hydrological connectivity(HC)caused by the structural modifications of the soil macropores.The main purpose of our work is to clarify and quantify the influence of the soil macropores volume on the vertical soil hydrodynamic process mechanically and statistically by taking the form of a case study in Yellow River Delta(YRD),and further reveal the vertical hydrological connectivity in this area.Based on X-ray computed tomography and constant head permeability test,the results showed a highly spatial heterogeneity of the soil structure in the YRD,hydraulic parameter(K_(s))was negatively correlated with bulk density and positively with soil macropore volume,soil aeration and maximum water capacity.Using Hydrus 1-D software and the Green–Ampt model,we estimated the characteristics of the hydrodynamic process in the soil without macropores,then evaluated the effect of the soil macropore on soil hydrodynamic process by comparing the experimental results with the simulation results.We found that increasing soil microporosity improved the convenience of water movement,which would enhance the HC of the region.The results will further help to reveal the eco-hydrological process at a vertical scale in soil and provide a theoretical guide for wetland conservation and restoration.展开更多
Globalization of social and economic activities has led to the large-scale redistribution of plant species.It is still unclear how the traits aid the successful invasion of alien species.Here,we downloaded global plan...Globalization of social and economic activities has led to the large-scale redistribution of plant species.It is still unclear how the traits aid the successful invasion of alien species.Here,we downloaded global plant trait data from the TRY-Plant Trait Database and classified alien species in China into four groups:high,medium,need attention and harmless according to their distribution and degree of harm to local plant communities based on existed studies.The relationship between plant functional traits and invasion level was clarified,and we established a prediction model based on plant functional traits and taxonomy.The results showed that species with smaller seeds,smaller individuals,lower special leaf area and longer seed bank longevity(SL)are more likely to be an invasive species after introduction to foreign ecosystems.In summary,exotic species with longer SL and lower seed dry mass are more likely to be invasive in China.We also trained two predictive models to check if we can predict a species’invasion.Combining the two models together,statistically,we could predict if a species is invasive from its traits and taxonomy with a 91.84%accuracy.This model could help local governments,managers and stakeholders to evaluate shall we introduce some plant species in China.展开更多
The biomass of wetland plants is highly responsive to environmental factors and plays a crucial role in the dynamics of the soil organic carbon(SOC)pool.In this study,we collected and analyzed global data on wetland p...The biomass of wetland plants is highly responsive to environmental factors and plays a crucial role in the dynamics of the soil organic carbon(SOC)pool.In this study,we collected and analyzed global data on wetland plant biomass from 1980 to 2021.By examining 1134 observations from 182 published papers on wetland ecosystems,we created a comprehensive database of wetland plant above-ground biomass(AGB)and below-ground biomass(BGB).Using this database,we analyzed the biomass characteristics of different climate zones,wetland types and plant species globally.Based on this,we analyzed the differences between the biomass of different plant species and the linkage between AGB and BGB and organic carbon.Our study has revealed that wetland plant AGB is greater in equatorial regions but BGB is highest in polar areas,and lowest in arid and equatorial zones.For plant species,the BGB of the Poales is higher than the AGB but Caryophyllales,Cyperales and Lamiales have higher AGB.Moreover,our findings indicate that BGB plays a more significant role in contributing to the organic carbon pool compared to AGB.Notably,when BGB is less than 1 t C ha^(-1),even slight changes in biomass can have a significant impact on the organic carbon pool.And we observed that the SOC increases by 5.7 t C ha^(-1)when the BGB content is low,indicating that the SOC is more sensitive to changes in biomass under such circumstances.Our study provides a basis for the global response of AGB and BGB of wetland plants to organic carbon.展开更多
Using density functional theory,we carefully calculated the relative stability of monolayer,few-layer,and cluster structures with Penta Pd(Se)_(2),T-phase Pd(Se)_(2),and Pd_(2)Se_(3)-phase.We found that the stability ...Using density functional theory,we carefully calculated the relative stability of monolayer,few-layer,and cluster structures with Penta Pd(Se)_(2),T-phase Pd(Se)_(2),and Pd_(2)Se_(3)-phase.We found that the stability of Penta Pd(Se)_(2) increases with the number of layers.The Penta Pd(Se)_(2),T-phase Pd(Se)_(2),and Pd_(2)Se_(3) monolayers are all semiconducting,with band gaps of 1.77,0.81,and 0.65 eV,respectively.The formation energy of palladium selenide clusters with different phase structures is calculated,considering the cluster size,stoichiometry,and chemical environment.Under typical experimental conditions,Pd_(2)Se_(3) phase clusters are found to be dominant,having the lowest formation energy among all of the phases considered,with this dominance increasing as cluster size grows.Adjusting the Pd−Se ratio in the environment allows for controlled synthesis of specific palladium selenide phases,providing theoretical insights into the nucleation mechanisms of Pd(Se)_(2) and other transition metal chalcogenides.展开更多
基金This study was sponsored by Gilead Sciences,Inc.
文摘Background and Aims:Tenofovir alafenamide(TAF)has similar efficacy to tenofovir disoproxil fumarate(TDF)but with improved renal and bone safety in chronic hepatitis B patients studied outside of China.We report 3-year results from two phase 3 studies with TAF in China(Clinicaltrials.gov:NCT02836249 and NCT02836236).Methods:Chinese hepatitis B e antigen(HBeAg)-positive and-negative chronic hepatitis B patients with viremia and elevated alanine aminotransferase were randomized 2:1 to TAF or TDF treatment groups and treated in a double-blind fashion for 144 weeks(3 years).Efficacy responses were assessed by individual study while safety was assessed by a pooled analysis.Results:Of the 334 patients(180 HBeAg-positive and 154 HBeAg-negative)randomized and treated,baseline characteristics were similar between groups.The overall mean age was 38 years and 73%were male.The mean HBV DNA was 6.4 log10 IU/mL.The median alanine aminotransferase was 88 U/L,and 37%had a history of antiviral use.At week 144,the proportion with HBV DNA<29 IU/mL was similar among the two groups,with TAF at 83%vs.TDF at 79%,and TAF at 93%vs.TDF at 92%for the HBeAg-positive and-negative patients,respectively.In each study,higher proportions of TAF than TDF patients showed normalized alanine aminotransferase(via the American Association for the Study of Liver Diseases and the China criteria)and showed loss of HBsAg;meanwhile,the HBeAg seroconversion rates were similar.Treatment was well-tolerated among the TAF patients,who showed a smaller median decline in creatinine clearance(−0.4 vs.−3.2 mL/min;p=0.014)and less percentage change in bone mineral density vs.TDF at hip(−0.95%vs.−1.93%)and spine(+0.35%vs.−1.40%).Conclusions:In chronic hepatitis B patients from China,TAF treatment provided efficacy similar to TDF but with better renal and bone safety at 3 years.
基金Ascletis Pharmaceuticals Co.,Ltd.provided financial support for this study(MANASA)
文摘Background and Aims:Genotype(GT)1 remains the predominant hepatitis c virus(HCV)GT in Chinese patients.Over 80%of those Chinese patients harbor the interferon-sensitive CC allele of IFNL4rs12979860,which is favorable for interferon-based treatment regimens.This phaseⅢclinical trial aimed to evaluate the efficacy and safety of the ritonavirboosted danoprevir plus pegylated-interferonα-2a and ribavirin regimen for 12 weeks in treatment-na(i)ve mainland Chinese patients infected with HCV GT1 without cirrhosis.Methods:One hundred and forty-one treatment-na(i)ve,non-cirrhotic HCV GT1 Chinese patients(age≥18 years)were enrolled for this single-arm,multicenter,phaseⅢMANASA study(NCT03020082).Patients received a combination of ritonavir-boosted danoprevir(100 mg/100 mg)twice a day plus subcutaneous injection of weekly pegylated-interferonα-2a(180μg)and oral ribavirin(1000/1200 mg/day body weight<75/≥75 kg)for 12 weeks.The primary end-point was sustained virologic response rate at 12 weeks after the end of treatment.The secondary end-points were safety outcomes,tolerability,virologic response over time and relapse rate.Results:All enrolled patients were HCV GT1-infected,and most among them(97.9%,123/141)had the HCV GT1b subtype.Single-nucleotide polymorphism test showed that the majority of patients were of the IFNL4 rs12979860 CC genotype(87.2%,123/141).Overall,140 patients completed the 12-week treatment,and 97.1%(136/140)patients achieved sustained virologic response at 12 weeks(per protocol population group,95%confidence interval:92.9-99.2%).Only drug-related serious adverse event occurred.Most of the adverse events were grade 1 and grade 2 alanine aminotransferase elevation or liver dysfunction.One patient discontinued treatment because of severe head injury in a car accident.Conclusions:The triple regimen of ritonavir-boosted danoprevir plus pegylated-interferonα-2a and ribavirin produced a sustained virologic response rate of 97.1%after 12 weeks treatment in noncirrhotic HCV GT1-infected Chinese patients,and was safe and well tolerated.
文摘Background and Aims:After 3-years(144 week)of double-blind treatment in Chinese chronic hepatitis B patients in two ongoing phase 3 studies,tenofovir alafenamide(TAF)showed similar efficacy to tenofovir disoproxil fumarate(TDF),with improved renal and bone safety.In this study,we aimed to report the 5-year results from 2 years into the open-label TAF treatment phase.Methods:All participants completing the 144-week double-blind treatment were eligible to receive open-label TAF 25 mg once daily up to week 384.Serial analysis of viral suppression(hepatitis B virus DNA<29 IU/mL),alanine aminotransferase normalization,serological responses,and safety outcomes at year 5(week 240)was performed.Results:The openlabel phase included 93%(311/334)of the enrolled participants,which included 212 who switched from double-blind TAF to open-label TAF(TAF-TAF)and 99 who switched from double-blind TDF to open-label TAF(TDF-TAF).Baseline characteristics were comparable.Week 240 viral suppression rates were similar between groups[93.4%vs.93.9%;difference:-1.5%,(95%CI:-6.4 to-3.5),p=0.857].Alanine aminotransferase normalization and serological response rates were higher in the TAF-TAF group than in the TDF-TAF group.The frequencies of adverse events and laboratory abnormalities were low and similar between groups.Both groups had similar small numerical declines from baseline in estimated glomerular filtration rate at year 5(week 240,-2.85 mL/min vs.-3.29 mL/min,p=0.910).The greater declines in renal and bone parameters in the TDF-TAF group through week 144 improved after switching to TAF.Conclusions:The 5-year TAF treatment efficacy was high and similar to that of 3-year TDF followed by 2-year TAF in Chinese chronic hepatitis B patients.Favorable effects on bone and renal parameters were sustained with TAF treatment alone and were observed following the switch from TDF to TAF.
基金The authors wish to thank all of the investigators and participating study sites,which are listed in Supplemental Table 1,as well as all the patients who participated in this studyThe authors also wish to thank Michelle Belanger,MD,of Edanz Medical Writing for providing medical writing assistance,which was funded by Shanghai Roche Pharmaceuticals Ltd.The study was funded by Shanghai Roche Pharmaceuticals Ltd
文摘Background and Aims:Data are limited on the use of pegylated-interferon alpha-2a(peg-IFNα)in Chinese patients with chronic hepatitis B virus(HBV)infection(CHB).We evaluated the effectiveness and safety of peg-IFNαin Chinese patients with hepatitis B envelope antigen-negative CHB in routine clinical practice.Methods:In this prospective,multicenter,observational,non-interventional cohort study,patients were assessed for up to 1 year after peg-IFNαtreatment cessation.Treating physicians established the dosing and treatment duration according to Chinese clinical practice.Effectiveness of peg-IFNαtreatment was measured by the percentage of:patients with HBV DNA<2000 IU/mL and loss of hepatitis B surface antigen(commonly known as HBsAg);HBV DNA level at end of treatment(EOT),and 6 months and 1 year posttreatment;and time course change in quantitative HBV DNA and HBsAg.Results:At EOT,6 months posttreatment,and 1 year posttreatment,the percentage of patients with HBV DNA<2000 IU/mL was 90.0%,81.8%,and 82.2%,and that of patients with HBsAg loss was 6.5%,9.4%,and 9.5%,respectively.The HBV DNA level decreased from 5.61 log IU/mL at baseline to 2.48 log IU/mL at EOT and 2.67 log IU/mL at 1 year posttreatment.The HBsAg level decreased from 3.08 log IU/mL at baseline to 2.24 log IU/mL at EOT and 2.10 log IU/mL at 1 year posttreatment.The incidence of adverse events was 52.0%.Conclusions:Peg-IFNαhas the potential to provide functional cure(HBsAg loss)for CHB and is well tolerated in hepatitis B envelope antigen-negative CHB patients in routine clinical practice in China.
基金supported by the Young Scientists Fund of the National Natural Science Foundation of China(42307573)Fundamental Research Funds for the Central Universities in China(BLX202250).
文摘The protection and management of the wetland should consider the changes in hydrological connectivity(HC)caused by the structural modifications of the soil macropores.The main purpose of our work is to clarify and quantify the influence of the soil macropores volume on the vertical soil hydrodynamic process mechanically and statistically by taking the form of a case study in Yellow River Delta(YRD),and further reveal the vertical hydrological connectivity in this area.Based on X-ray computed tomography and constant head permeability test,the results showed a highly spatial heterogeneity of the soil structure in the YRD,hydraulic parameter(K_(s))was negatively correlated with bulk density and positively with soil macropore volume,soil aeration and maximum water capacity.Using Hydrus 1-D software and the Green–Ampt model,we estimated the characteristics of the hydrodynamic process in the soil without macropores,then evaluated the effect of the soil macropore on soil hydrodynamic process by comparing the experimental results with the simulation results.We found that increasing soil microporosity improved the convenience of water movement,which would enhance the HC of the region.The results will further help to reveal the eco-hydrological process at a vertical scale in soil and provide a theoretical guide for wetland conservation and restoration.
基金supported by National Forestry and Grassland Administration Emergency Leading the Charge with Open Competition Project(202302)the Fundamental Research Funds for the Central University(BLX202250).
文摘Globalization of social and economic activities has led to the large-scale redistribution of plant species.It is still unclear how the traits aid the successful invasion of alien species.Here,we downloaded global plant trait data from the TRY-Plant Trait Database and classified alien species in China into four groups:high,medium,need attention and harmless according to their distribution and degree of harm to local plant communities based on existed studies.The relationship between plant functional traits and invasion level was clarified,and we established a prediction model based on plant functional traits and taxonomy.The results showed that species with smaller seeds,smaller individuals,lower special leaf area and longer seed bank longevity(SL)are more likely to be an invasive species after introduction to foreign ecosystems.In summary,exotic species with longer SL and lower seed dry mass are more likely to be invasive in China.We also trained two predictive models to check if we can predict a species’invasion.Combining the two models together,statistically,we could predict if a species is invasive from its traits and taxonomy with a 91.84%accuracy.This model could help local governments,managers and stakeholders to evaluate shall we introduce some plant species in China.
基金supported by the Fundamental Research Funds for the Central Universities(2022BLRD004 and BH2022-03)。
文摘The biomass of wetland plants is highly responsive to environmental factors and plays a crucial role in the dynamics of the soil organic carbon(SOC)pool.In this study,we collected and analyzed global data on wetland plant biomass from 1980 to 2021.By examining 1134 observations from 182 published papers on wetland ecosystems,we created a comprehensive database of wetland plant above-ground biomass(AGB)and below-ground biomass(BGB).Using this database,we analyzed the biomass characteristics of different climate zones,wetland types and plant species globally.Based on this,we analyzed the differences between the biomass of different plant species and the linkage between AGB and BGB and organic carbon.Our study has revealed that wetland plant AGB is greater in equatorial regions but BGB is highest in polar areas,and lowest in arid and equatorial zones.For plant species,the BGB of the Poales is higher than the AGB but Caryophyllales,Cyperales and Lamiales have higher AGB.Moreover,our findings indicate that BGB plays a more significant role in contributing to the organic carbon pool compared to AGB.Notably,when BGB is less than 1 t C ha^(-1),even slight changes in biomass can have a significant impact on the organic carbon pool.And we observed that the SOC increases by 5.7 t C ha^(-1)when the BGB content is low,indicating that the SOC is more sensitive to changes in biomass under such circumstances.Our study provides a basis for the global response of AGB and BGB of wetland plants to organic carbon.
基金financial support from the National Natural Science Foundation of China(12104513)the Shandong Provincial Natural Science Foundation of China(ZR2020QA050)the Taishan Scholars Program of Shandong Province(tsqn201909071).
文摘Using density functional theory,we carefully calculated the relative stability of monolayer,few-layer,and cluster structures with Penta Pd(Se)_(2),T-phase Pd(Se)_(2),and Pd_(2)Se_(3)-phase.We found that the stability of Penta Pd(Se)_(2) increases with the number of layers.The Penta Pd(Se)_(2),T-phase Pd(Se)_(2),and Pd_(2)Se_(3) monolayers are all semiconducting,with band gaps of 1.77,0.81,and 0.65 eV,respectively.The formation energy of palladium selenide clusters with different phase structures is calculated,considering the cluster size,stoichiometry,and chemical environment.Under typical experimental conditions,Pd_(2)Se_(3) phase clusters are found to be dominant,having the lowest formation energy among all of the phases considered,with this dominance increasing as cluster size grows.Adjusting the Pd−Se ratio in the environment allows for controlled synthesis of specific palladium selenide phases,providing theoretical insights into the nucleation mechanisms of Pd(Se)_(2) and other transition metal chalcogenides.
